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Priv.-Doz. Dr.rer.nat. Markus Gruner

Fakultät für Physik, Theoretische Physik

Anschrift
Mülheimer Str
47057 Duisburg
Raum
ME 128
Telefon
+49 203 37 92247
Telefax
+49 203 37 91679
E-Mail
me@thp.uni-duisburg.de

Funktionen

  • Wissenschaftliche/r Mitarbeiter/in, Arbeitsgruppe Prof. Pentcheva

  • Gruppe der Hochschullehrerinnen und Hochschullehrer, Fakultätsrat Physik

Die folgenden Publikationen sind in der Online-Universitätsbibliographie der Universität Duisburg-Essen verzeichnet. Weitere Informationen finden Sie gegebenenfalls auch auf den persönlichen Webseiten der Person.

    Artikel in Zeitschriften

  • Bhattacharya, Ahana; Darmawan, Andri; Han, Jeong Woo; Steinkamp, Frederik; Bingham, Nicholas S.; Suess, Ryan J.; Winnerl, Stephan; Gruner, Markus E.; Jin, Eric N.; Walker, Frederick J.; Ahn, Charles H.; Pentcheva, Rossitza; Mittendorff, Martin; Han, Jeong-Woo
    Terahertz carrier dynamics in SrTiO₃/LaTiO₃ interfacial two-dimensional electron gases
    In: Physical Review B, Jg. 112, 2025, Nr. 15, 155307
    DOI (Open Access)
  • Shomali, Elaheh; Gruner, Markus; Pentcheva, Rossitza
    Concerted Mechanism of Carrier Dynamics in Laser-Excited Fen/(MgO)m(001) Heterostructures from Real-Time Time-Dependent DFT
    In: Advanced Theory and Simulations, Jg. 7, 2024, Nr. 1, 2300319
    DOI (Open Access)
  • Friák, Martin; Schneeweiss, Oldřich; Kamarád, Jiří; Kaštil, Jiří; Miroshkina, Olga; Gruner, Markus
    Impact of swaps on Mössbauer characteristics of Ni₂MnSn : An experimental and quantum-mechanical study
    In: Journal of Materials Science, Jg. 59, 2024, Nr. 13, S. 5595 – 5606
    DOI
  • Adabifiroozjaei, Esmaeil; Maccari, Fernando; Schäfer, Lukas; Jiang, Tianshu; Recalde-Benitez, Oscar; Chirkova, Alisa; Shayanfar, Navid; Dirba, Imants; Kani, Nagaarjhuna A; Shuleshova, Olga; Winkler, Robert; Zintler, Alexander; Rao, Ziyuan; Pfeuffer, Lukas; Kovács, András; Dunin-Borkowski, Rafal E.; Skokov, Konstantin; Gault, Baptiste; Gruner, Markus; Gutfleisch, Oliver; Molina-Luna, Leopoldo
    Martensitic phase transformation in short-range ordered Fe₅₀Rh₅₀ system induced by thermal stress and mechanical deformation
    In: Acta Materialia, Jg. 264, 2024, 119577
    DOI (Open Access)
  • Skokov, K.P.; Karpenkov, A.Y.; Karpenkov, D.Y.; Radulov, I.A.; Günzing, Damian; Eggert, Benedikt; Rogalev, A.; Wilhelm, F.; Liu, J.; Shao, Y.; Ollefs, Katharina; Gruner, Markus; Wende, Heiko; Gutfleisch, O.
    A multi-stage, first-order phase transition in LaFe₁₁.₈Si₁.₂ : Interplay between the structural, magnetic, and electronic degrees of freedom
    In: Applied Physics Reviews, Jg. 10, 2023, Nr. 3, 031408
    DOI, Online Volltext (Open Access)
  • Josten, Nicolas; Miroshkina, Olga; Acet, Mehmet; Gruner, Markus; Farle, Michael
    Annealing time, temperature, and field dependence of pinned magnetic moments in the collinear antiferromagnet PdMn
    In: Physical Review B, Jg. 108, 2023, Nr. 6, 064417
    DOI (Open Access)
  • Sokolovskiy, V.V.; Miroshkina, Olga; Buchelnikov, V.D.; Gruner, Markus
    Atomic Ordering in Fe₂NiZ (Z = Al, Ga, In, Sn) Alloys : Effects on the Anisotropy and Properties of the Ground State
    In: The Physics of Metals and Metallography, Jg. 124, 2023, Nr. 2, S. 138 – 145
    DOI
  • Beckmann, Benedikt; Koch, David; Pfeuffer, Lukas; Gottschall, Tino; Taubel, Andreas; Adabifiroozjaei, Esmaeil; Miroshkina, Olga; Riegg, Stefan; Niehoff, Timo; Kani, Nagaarjhuna A.; Gruner, Markus; Molina-Luna, Leopoldo; Skokov, Konstantin P.; Gutfleisch, Oliver
    Dissipation losses limiting first-order phase transition materials in cryogenic caloric cooling : A case study on all-d-metal Ni(-Co)-Mn-Ti Heusler alloys
    In: Acta Materialia, Jg. 246, 2023, 118695
    DOI (Open Access)
  • Sokolovskiy, V. V.; Miroshkina, Olga; Buchelnikov, V. D.; Gruner, Markus
    Effect of Layered Atomic Ordering on the Magnetic Properties of Fe2Ni-Based Heusler Alloys : Insights from Ab Initio Simulations
    In: Shape Memory and Superelasticity, Jg. 9, 2023, Nr. 3, S. 420 – 426
    DOI
  • Josten, Nicolas; Noorzayee, Sakia; Miroshkina, Olga; Zingsem, Benjamin; Acet, Mehmet; Wiedwald, Ulf; Çaklr, Asll; Gruner, Markus; Farle, Michael
    Emergence of net magnetization by magnetic field biased diffusion in antiferromagnetic L10 NiMn
    In: Physical Review B, Jg. 107, 2023, Nr. 17, 174417
    DOI, Online Volltext (Open Access)
  • Begum-Hudde, Vijaya; Lojewski, Tobias; Rothenbach, Nico; Eggert, Benedikt; Eschenlohr, Andrea; Ollefs, Katharina; Gruner, Markus; Pentcheva, Rossitza
    Nature of excitons in the Ti L and O K edges of x-ray absorption spectra in bulk SrTiO3 from a combined first principles and many-body theory approach
    In: Physical Review Research, Jg. 5, 2023, Nr. 1, 013199
    DOI, Online Volltext (Open Access)
  • Heckschen, Markus; Beyazit, Yasin; Shomali, Elaheh; Kühne, Florian; Jayabalan, Jesumony; Zhou, Ping; Diesing, Detlef; Gruner, Markus E.; Pentcheva, Rossitza; Lorke, Axel; Sothmann, Björn; Bovensiepen, Uwe
    Spatio-Temporal Electron Propagation Dynamics in Au/Fe/MgO(001) in Nonequilibrium : Revealing Single Scattering Events and the Ballistic Limit
    In: PRX Energy, Jg. 2, 2023, Nr. 4, 043009
    DOI (Open Access)
  • Shomali, Elaheh; Gruner, Markus; Pentcheva, Rossitza
    Anisotropic carrier dynamics in a laser-excited Fe1/(MgO)3(001) heterostructure from real-time time-dependent density functional theory
    In: Physical Review B, Jg. 105, 2022, Nr. 24, 245103
    Online Volltext, DOI (Open Access)
  • Koch, David; Beckmann, Benedikt; Fortunato, Nuno M.; Miroshkina, Olga; Gruner, Markus; Zhang, Hongbin; Gutfleisch, Oliver; Donner, Wolfgang
    Chemical long range ordering in all-d-metal Heusler alloys
    In: Journal of Applied Physics, Jg. 131, 2022, Nr. 7, 073903
    DOI
  • Cugini, F.; Chicco, S.; Orlandi, F.; Allodi, G.; Bonfá, P.; Vezzoni, V.; Miroshkina, Olga N.; Gruner, Markus; Righi, L.; Fabbrici, S.; Albertini, F.; De Renzi, R.; Solzi, M.
    Effective decoupling of ferromagnetic sublattices by frustration in Heusler alloys
    In: Physical Review B, Jg. 105, 2022, Nr. 17, 174434
    DOI, Online Volltext (Open Access)
  • Miroshkina, Olga; Sokolovskiy, Vladimir V.; Buchelnikov, Vasiliy D.; Gruner, Markus
    Electronic and Vibrational Properties of Fe2NiAl and Co2NiAl Full Heusler Alloys : A First-Principles Comparison
    In: IEEE Transactions on Magnetics (T-MAG), Jg. 58, 2022, Nr. 8, 2700105
    DOI, Online Volltext (Open Access)
  • Sokolovskiy, Vladimir V.; Miroshkina, Olga; Buchelnikov, Vasiliy D.; Gruner, Markus
    Impact of local arrangement of Fe and Ni on the phase stability and magnetocrystalline anisotropy in Fe-Ni-Al Heusler alloys
    In: Physical Review Materials, Jg. 6, 2022, Nr. 2, 025402
    DOI, Online Volltext (Open Access)
  • Miroshkina, Olga; Eggert, Benedikt; Lill, Johanna; Beckmann, Benedikt; Koch, David; Hu, Michael Y.; Lojewski, Tobias; Rauls, Simon; Scheibel, Franziska; Taubel, Andreas; Šob, Mojmir; Ollefs, Katharina; Gutfleisch, Oliver; Wende, Heiko; Gruner, Markus; Friák, Martin
    Impact of magnetic and antisite disorder on the vibrational densities of states in Ni2MnSn Heusler alloys
    In: Physical Review B, Jg. 106, 2022, Nr. 21, 214302
    DOI
  • Sokolovskiy, Vladimir; Miroshkina, Olga; Sanosyan, Artur; Baigutlin, Danil; Buchelnikov, Vasiliy; Gruner, Markus
    Magnetic and structural properties of Co-Ni-Z (Z= Al, Ga, In, Sn) Heusler alloys : Effect of structural motives and chemical disorder
    In: Journal of Magnetism and Magnetic Materials, Jg. 546, 2022, 168728
    DOI
  • Geisler, Benjamin; Yordanov, Petar; Gruner, Markus; Keimer, Bernhard; Pentcheva, Rossitza
    Tuning the Thermoelectric Properties of Transition Metal Oxide Thin Films and Superlattices on the Quantum Scale
    In: Physica Status Solidi (B): Basic Solid State Physics, Jg. 259, 2022, Nr. 5, Special issue: From Electronic Correlations to Functionality, 2100270
    DOI (Open Access)
  • Rothenbach, Nico; Gruner, Markus; Ollefs, Katharina; Schmitz-Antoniak, Carolin; Salamon, Soma; Zhou, Ping; Li, Renkai; Mo, Mianzhen; Park, Suji; Shen, Xiaohong; Weathersby, Stephen P.; Yang, Jun; Wang, Xijie; Šipr, Ondrej; Ebert, Hubert; Sokolowski-Tinten, Klaus; Pentcheva, Rossitza; Bovensiepen, Uwe; Eschenlohr, Andrea; Wende, Heiko
    Effect of lattice excitations on transient near-edge x-ray absorption spectroscopy
    In: Physical Review B, Jg. 104, 2021, Nr. 14, 144302
    DOI, Online Volltext (Open Access)
  • Begum, Vijaya; Gruner, Markus; Vorwerk, Christian; Draxl, Claudia; Pentcheva, Rossitza
    Theoretical description of optical and X-ray absorption spectra of MgO including many-body effects
    In: Physical Review B, Jg. 103, 2021, Nr. 19, 195128
    DOI, Online Volltext (Open Access)
  • Terwey, Alexandra; Gruner, Markus; Keune, Werner; Landers, Joachim; Salamon, Soma; Eggert, Benedikt; Ollefs, Katharina; Brabänder, V.; Radulov, Iliya; Skokov, Konstantin; Faske, Tom; Hu, Michael Y.; Zhao, Jiyong; Alp, Esen E.; Giacobbe, Carlotta; Gutfleisch, Oliver; Wende, Heiko
    Influence of hydrogenation on the vibrational density of states of magnetocaloric LaFe11.4Si1.6H1.6
    In: Physical Review B, Jg. 101, 2020, Nr. 6, 064415
    DOI, Online Volltext (Open Access)
  • Eggert, Benedikt; Gruner, Markus; Ollefs, Katharina; Schuster, Ellen; Rothenbach, Nico; Hu, Michael Y.; Zhao, Jiyong; Toellner, Thomas S.; Sturhahn, Wolfgang; Pentcheva, Rossitzza; Cuenya, Beatriz Roldan; Alp, Esen E.; Wende, Heiko; Keune, Werner
    Interface-related magnetic and vibrational properties in Fe/MgO heterostructures from nuclear resonant spectroscopy and first-principles calculations
    In: Physical Review Materials, Jg. 4, 2020, Nr. 4, 044402
    Online Volltext, DOI (Open Access)
  • Gruner, Markus; Pentcheva, Rossitza
    Dynamics of optical excitations in a Fe/MgO(001) heterostructure from time-dependent density functional theory
    In: Physical Review B, Jg. 99, 2019, Nr. 19, S. 195104
    DOI, Online Volltext (Open Access)
  • Witte, Ralf; Kruk, Robert; Wang, Di; Schlabach, Sabine; Brand, Richard A.; Gruner, Markus; Wende, Heiko; Hahn, Horst
    Epitaxial strain adaptation in chemically disordered FeRh thin films
    In: Physical Review B, Jg. 99, 2019, Nr. 13, 134109
    DOI, Online Volltext (Open Access)
  • Yordanov, Petar; Sigle, W.; Kaya, P.; Gruner, Markus; Pentcheva, Rossitza; Keimer, B.; Habermeier, H.-U.
    Large thermopower anisotropy in PdCoO2 thin films
    In: Physical Review Materials, Jg. 3, 2019, Nr. 8, 085403
    DOI
  • Rothenbach, Nico; Gruner, Markus; Ollefs, Katharina; Schmitz-Antoniak, Carolin; Salamon, Soma; Zhou, Ping; Li, R.; Mo, Mianzhen; Park, S.; Shen, Xiaozhe; Weathersby, Stephen P.; Yang, Jie; Wang, Xijie; Pentcheva, Rossitza; Wende, Heiko; Bovensiepen, Uwe; Sokolowski-Tinten, Klaus; Eschenlohr, Andrea
    Microscopic nonequilibrium energy transfer dynamics in a photoexcited metal/insulator heterostructure
    In: Physical Review B, Jg. 100, 2019, Nr. 17, 174301
    DOI, Online Volltext (Open Access)
  • Begum, Vijaya; Gruner, Markus; Pentcheva, Rossitza
    Role of the exchange-correlation functional on the structural, electronic, and optical properties of cubic and tetragonal SrTiO3 including many-body effects
    In: Physical Review Materials, Jg. 3, 2019, Nr. 6, S. 065004
    DOI, Online Volltext (Open Access)
  • Sokolovskiy, V. V.; Gruner, Markus; Entel, Peter; Acet, Mehmet; Çakır, A.; Baigutlin, D. R.; Buchelnikov, V. D.
    Segregation tendency of Heusler alloys
    In: Physical Review Materials, Jg. 3, 2019, Nr. 8, S. 084413
    DOI
  • Cavazzini, G.; Cugini, Francesco; Gruner, Markus; Bennati, Cecilia; Righi, Lara; Fabbrici, Simone; Albertini, Franca; Solzi, Massimo
    Tuning the magnetic and magnetocaloric properties of austenitic Ni-Mn-(In,Sn)Heuslers
    In: Scripta Materialia, Jg. 170, 2019, S. 48 – 51
    DOI
  • Landers, Joachim; Salamon, Soma; Keune, Werner; Gruner, Markus; Krautz, Maria; Zhao, Jiyong; Hu, Michael Y.; Toellner, Thomas; Alp, Esen E.; Gutfleisch, Oliver; Wende, Heiko
    Determining the vibrational entropy change in the giant magnetocaloric material LaFe₁₁.₆Si₁.₄ by nuclear resonant inelastic x-ray scattering
    In: Physical Review B, Jg. 98, 2018, Nr. 2, 024417
    DOI, Online Volltext (Open Access)
  • Scheibel, Franziska; Gottschall, Tino; Taubel, Andreas; Fries, Maximilian; Skokov, Konstantin P.; Terwey, Alexandra; Keune, Werner; Ollefs, Katharina; Wende, Heiko; Farle, Michael; Acet, Mehmet; Gutfleisch, Oliver; Gruner, Markus
    Hysteresis Design of Magnetocaloric Materials—From Basic Mechanisms to Applications
    In: Energy Technology, Jg. 6, 2018, Nr. 8, S. 1397 – 1428
    DOI (Open Access)
  • Waske, Anja; Gruner, Markus; Gottschall, Tino; Gutfleisch, Oliver
    Magnetocaloric materials for refrigeration near room temperature
    In: MRS Bulletin, Jg. 43, 2018, Nr. 4, S. 269 – 273
    DOI
  • Gruner, Markus; Niemann, Robert; Entel, Peter; Pentcheva, Rossitza; Rößler, Ulrich K.; Nielsch, Kornelius; Fähler, Sebastian
    Modulations in martensitic Heusler alloys originate from nanotwin ordering
    In: Scientific Reports, Jg. 8, 2018, Nr. 1, S. 8489
    DOI (Open Access)
  • Gruner, Markus; Keune, Werner; Landers, Joachim; Salamon, Soma; Krautz, Maria; Zhao, Jiyong; Hu, Michael Y.; Toellner, Thomas; Alp, Esen E.; Gutfleisch, Oliver; Wende, Heiko
    Moment-Volume Coupling in La(Fe₁−ₓSiₓ)₁₃
    In: Physica Status Solidi (B): Basic Solid State Physics, Jg. 255, 2018, Nr. 2, S. 1700465
    DOI, Online Volltext (Open Access)
  • Entel, Peter; Gruner, Markus; Fähler, Sebastian; Acet, Mehmet; Çahır, Asli; Arróyave, Raymundo; Sahoo, Sanjubala; Duong, Thien C.; Talapatra, Anjana; Sandratskii, Leonid; Mankowsky, Sergei; Gottschall, Tino; Gutfleisch, Oliver; Lázpita, Patricia; Chernenko, Volodymyr A.; Barandiaran, Jose M.; Sokolovskiy, Vladimir V.; Buchelnikov, Vasiliy D.
    Probing structural and magnetic instabilities and hysteresis in Heuslers by density functional theory calculations
    In: Physica Status Solidi (B): Basic Solid State Physics, Jg. 255, 2018, Nr. 2, S. 1700296
    DOI
  • Entel, Peter; Gruner, Markus; Acet, Mehmet; Çakir, Asli; Arróyave, Raymundo; Duong, Thien; Sahoo, Sanjubala; Fähler, Sebastian; Sokolovskiy, Vladimir V.
    Properties and Decomposition of Heusler Alloys
    In: Energy Technology, Jg. 6, 2018, Nr. 8, S. 1478 – 1490
    DOI
  • Schleicher, B; Klar, David; Ollefs, Katharina; Diestel, A; Walecki, Dirk; Weschke, E; Schultz, L; Nielsch, K; Fähler, S; Wende, Heiko; Gruner, Markus
    Electronic structure and magnetism of epitaxial Ni–Mn–Ga(-Co) thin films with partial disorder : a view across the phase transition
    In: Journal of Physics D: Applied Physics, Jg. 50, 2017, Nr. 46, S. 465005
    DOI (Open Access)
  • Kundu, Ashis; Gruner, Markus; Siewert, Mario; Hucht, Alfred; Entel, Peter; Ghosh, Subhradip
    Interplay of phase sequence and electronic structure in the modulated martensites of Mn2NiGa from first-principles calculations
    In: Physical Review B, Jg. 96, 2017, Nr. 6, 064107
    DOI, Online Volltext (Open Access)
  • Pentcheva, Rossitza; Gruner, Markus
    Neue Materialien errechnen : HPC in der Vorhersage neuartiger elektronischer und magnetischer Eigenschaften auf der Nanoskala mittels atomistischer quantenmechanischer Simulationen
    In: Unikate: Berichte aus Forschung und Lehre, 2017, Nr. 50: Natur-, Ingenieur- und Wirtschaftswissenschaften – High-Performance und Cloud Computing, S. 86 – 97
    DOI, Online Volltext (Open Access)
  • Neibecker, Pascal; Gruner, Markus; Xu, Xiao; Kainuma, Ryosuke; Petry, Winfried; Pentcheva, Rossitza; Leitner, Michael
    Ordering tendencies and electronic properties in quaternary Heusler derivatives
    In: Physical Review B, Jg. 96, 2017, Nr. 16, S. 165131
    DOI (Open Access)
  • Gottschall, Tino; Skokov, Konstantin P.; Benke, Dimitri; Gruner, Markus; Gutfleisch, Oliver
    Contradictory role of the magnetic contribution in inverse magnetocaloric Heusler materials
    In: Physical Review B, Jg. 93, 2016, Nr. 18, S. 184431
    DOI
  • Entel, Peter; Dronskowski, Richard; Singh, Navdeep; Arroyave, Raymundo; Talapatra, Anjana; Hucht, Alfred; Bogdanovski, Dimitri; Gruner, Markus
    First-Principles and Monte Carlo Studies of Magnetocaloric Effects
    In: Advances in Science and Technology, Jg. 97, 2016, S. 124 – 133
    DOI
  • Lamontagne, Leo K.; Laurita, Geneva; Gaultois, Michael W.; Knight, Michael; Ghadbeigi, Leila; Sparks, Taylor D.; Gruner, Markus; Pentcheva, Rossitza; Brown, Craig M.; Seshadri, Ram
    High Thermopower with Metallic Conductivity in p-Type Li-Substituted PbPdO2
    In: Chemistry of Materials, Jg. 28, 2016, 2016, Nr. 10, S. 3367 – 3373
    DOI
  • Wolloch, Michael; Gruner, Markus; Keune, Werner; Mohn, Peter; Redinger, Josef; Hofer, Florian; Suess, Dieter; Podloucky, Raimund; Landers, Joachim; Salamon, Soma; Scheibel, Franziska; Spoddig, Detlef; Witte, Ralf; Roldan Cuenya, Beatriz; Gutfleisch, Oliver; Hu, Michael Y.; Zhao, Jiyong; Toellner, Thomas; Alp, Ercan E.; Siewert, Mario; Entel, Peter; Pentcheva, Rossitza; Wende, Heiko
    Impact of lattice dynamics on the phase stability of metamagnetic FeRh : Bulk and thin films
    In: Physical Review B, Jg. 94, 2016, Nr. 17, S. 174435
    DOI (Open Access)
  • Gutfleisch, Oliver; Gottschall, Tino; Fries, Maximilian; Benke, Dimitri; Radulov, Iliya; Skokov, Konstantin P.; Wende, Heiko; Gruner, Markus; Acet, Mehmet; Entel, Peter; Farle, Michael
    Mastering hysteresis in magnetocaloric materials
    In: Philosophical Transactions of the Royal Society of London A: Mathematical, Physical and Engineering Sciences, Jg. 374, 2016, Nr. 2074, S. 20150308
    DOI
  • Wilhelm, Heribert; Leonov, Andrey O.; Rößler, Ulrich K.; Burger, P.; Hardy, Frédéric; Meingast, Christoph; Gruner, Markus; Schnelle, Walter; Schmidt, Marcus; Baenitz, Michael
    Scaling study and thermodynamic properties of the cubic helimagnet FeGe
    In: Physical Review B, Jg. 94, 2016, Nr. 14, S. 144424
    DOI, Online Volltext (Open Access)
  • Witte, Ralf; Kruk, Robert; Gruner, Markus; Brand, Richard A.; Wang, Di; Schlabach, Sabine; Beck, Andre; Provenzano, Virgil; Pentcheva, Rossitza; Wende, Heiko; Hahn, Horst
    Tailoring magnetic frustration in strained epitaxial FeRh films
    In: Physical Review B, Jg. 93, 2016, Nr. 10, S. 104416
    DOI, Online Volltext (Open Access)
  • Sokolovskiy, Vladimir V.; Entel, Peter; Buchelnikov, V. D.; Gruner, Markus
    Achieving large magnetocaloric effects in Co- and Cr-substituted Heusler alloys : Predictions from first-principles and Monte Carlo studies
    In: Physical Review B: Condensed matter and materials physics, Jg. 91, 2015, Nr. 22, 220409(R)
    DOI
  • Roy, Tufan; Gruner, Markus; Entel, Peter; Chakrabarti, Aparna
    Effect of substitution on elastic stability, electronic structure and magnetic property of Ni-Mn based Heusler alloys : an ab initio comparison
    In: Journal of Alloys and Compounds, 2015, Nr. 632, S. 822 – 829
    DOI
  • Gruner, Markus; Keune, Werner; Roldán-Cuenya, Beatriz; Weis, Claudia; Landers, Joachim; Makarov, Sergey; Klar, David; Hu, Michael Y.; Alp, Ercan E.; Zhao, Jiyong; Krautz, Maria; Gutfleisch, Oliver; Wende, Heiko
    Element-resolved thermodynamics of magnetocaloric lafe13-xsix
    In: Physical Review Letters, Jg. 114, 2015, Nr. 5, S. 057202
    DOI, Online Volltext (Open Access)
  • Sokolovskiy, Vladimir V.; Buchelnikov, Vasiliy D.; Gruner, Markus; Entel, Peter
    First-Principles Calculations of Magnetic Properties of Cr-Doped Ni45Co5Mn37In13 Heusler Alloys
    In: IEEE Transactions on Magnetics (T-MAG), Jg. 51, 2015, Nr. 11, 2502504
    DOI, Online Volltext
  • Gruner, Markus; Eckern, Ulrich; Pentcheva, Rossitza
    Impact of strain-induced electronic topological transition on the thermoelectric properties of PtCoO2 and PdCoO2
    In: Physical Review B: Condensed matter and materials physics, Jg. 92, 2015, Nr. 23, S. 235140
    DOI, Online Volltext (Open Access)
  • Entel, Peter; Gruner, Markus; Ogura, Masako; Sokolovskiy, Vladimir V.; Buchelnikov, Vasiliy D.; Grünebohm, Anna; Arróyave, Raymundo; Uebayashi, Kazuhiko; Singh, Navdeep; Talapatra, Anjana; Duong, Thien; Acet, Mehmet; Çakir, Asli; Çakır, Aslı
    Large magnetocaloric effects in magnetic intermetallics : First-principles and Monte Carlo studies
    In: MATEC Web of Conferences, Jg. 33, 2015, Nr. ESOMAT 2015 – 10th European Symposium on Martensitic Transformations, S. 02001
    DOI (Open Access)
  • Buchelnikov, Vasiliy D.; Sokolovskiy, Vladimir V.; Gruner, Markus; Entel, Peter
    Magnetic states of the Ni1.75Co0.25Mn1.25Cr0.25In0.5 Heusler alloy
    In: IEEE Transactions on Magnetics (T-MAG), Jg. 51, 2015, Nr. 11, 2502104
    DOI
  • Entel, Peter; Sokolovskiy, Vladimir V.; Buchelnikov, Vasiliy D.; Ogura, Masako; Gruner, Markus; Grünebohm, Anna; Comtesse, Denis; Akai, Hisazumi
    The metamagnetic behavior and giant inverse magnetocaloric effect in Ni–Co–Mn–(Ga, In, Sn) Heusler alloys
    In: Journal of Magnetism and Magnetic Materials, Jg. 385, 2015, S. 193 – 197
    DOI
  • Li, Zi-An; Spasova, Marina; Ramasse, Quentin M.; Gruner, Markus; Kiesielowski, Christian; Farle, Michael
    Chemically ordered decahedral FePt nanocrystals observed by electron microscopy
    In: Physical Review B: Condensed matter and materials physics, Jg. 89, 2014, Nr. 16, 161406(R)
    DOI
  • Comtesse, Denis; Gruner, Markus; Ogura, Masako; Sokolovskiy, Vladimir V.; Buchelnikov, Vasiliy D.; Grünebohm, Anna; Arroyave, Raymundo; Singh, Navdeep; Gottschall, Tino; Gutfleisch, Oliver; Chernenko, Volodymyr A.; Albertini, Franca; Fähler, Sebastian; Entel, Peter
    First-principles calculation of the instability leading to giant inverse magnetocaloric effects
    In: Physical Review B: Condensed matter and materials physics, Jg. 89, 2014, Nr. 18, S. 184403
    DOI, Online Volltext (Open Access)
  • Sahoo, Sanjubala; Gruner, Markus
    First-principles studies on graphene-supported transition metal clusters
    In: The Journal of Chemical Physics (JCP), Jg. 141, 2014, Nr. 7
    DOI
  • Entel, Peter; Gruner, Markus; Comtesse, Denis; Sokolovskiy, Vladimir V.; Buchelnikov, Vasiliy D.
    Interacting magnetic cluster-spin glasses and strain glasses in Ni–Mn based Heusler structured intermetallics
    In: Physica Status Solidi (B): Basic Solid State Physics, Jg. 251, 2014, Nr. 10, S. 2135 – 2148
    DOI
  • Gruner, Markus; Fähler, Sebastian; Entel, Peter
    Magnetoelastic coupling and the formation of adaptive martensite in magnetic shape memory alloys
    In: Physica Status Solidi (B): Basic Solid State Physics, Jg. 251, 2014, Nr. 10, S. 2067 – 2079
    DOI
  • Grünebohm, Anna; Comtesse, Denis; Hucht, Alfred; Gruner, Markus; Maslovskaya, Anna G.; Entel, Peter
    Optimizing the magnetocaloric effect in Ni-Mn-Sn by substitution : A first-principles study
    In: IEEE Transactions on Magnetics (T-MAG), Jg. 50, 2014, Nr. 11, 2506004
    DOI, Online Volltext
  • Chakrabarti, Aparna; Siewert, Mario; Roy, Tufan; Mondal, Krishnakanta; Banerjee, Arup; Gruner, Markus; Entel, Peter
    Ab initio studies of effect of copper substitution on the electronic and magnetic properties of Ni2MnGa and Mn2NiGa
    In: Physical Review B: Condensed matter and materials physics, Jg. 88, 2013, Nr. 17, S. 174116
    DOI
  • Entel, Peter; Siewert, Mario; Gruner, Markus; Herper, Heike; Comtesse, Denis; Arroyave, Raymundo; Singh, Navedeep; Talapatra, Anjana; Sokolovskiy, Vladimir V.; Buchelnikov, Vasiliy D.; Albertini, Franca; Righi, Lara; Chernenko, Volodymyr A.
    Complex magnetic ordering as a driving mechanism of multifunctional properties of Heusler alloys from first principles
    In: The European Physical Journal B: Condensed Matter and Complex Systems, Jg. 86, 2013, Nr. 2, S. 65
    DOI
  • Gruner, Markus; Hamann, Sven; Brunken, Hayo; Ludwig, Alfred; Entel, Peter
    Compositional trends and magnetic excitations in binary and ternary Fe-Pd-X magnetic shape memory alloys
    In: Journal of Alloys and Compounds, Jg. 577, 2013, Nr. Suppl. 1, S. S333 – S337
    DOI
  • Entel, Peter; Gruner, Markus; Comtesse, Denis; Wuttig, Manfred
    Interaction of Phase Transformation and Magnetic Properties of Heusler Alloys: A Density Functional Theory Study
    In: JOM: The Journal of the Minerals, Metals & Materials Society, Jg. 65, 2013, Nr. 11, S. 1540 – 1549
    DOI
  • Entel, Peter; Siewert, Mario; Gruner, Markus; Chakrabarti, Aparna; Barman, Sudipta R.; Sokolovskiy, Vladimir V.; Buchelnikov, Vasiliy D.
    Optimization of smart Heusler alloys from first principles
    In: Journal of Alloys and Compounds, Jg. 577, 2013, Nr. Suppl. 1, S. S107 – S112
    DOI
  • Gruner, Markus
    Trends in spin and orbital magnetism of free and encapsulated FePt nanoparticles
    In: Physica Status Solidi (A) - Applications and Materials Science, Jg. 210, 2013, Nr. 7, S. 1282 – 1297
    DOI
  • Siewert, Mario; Gruner, Markus; Hucht, Alfred; Herper, Heike; Dannenberg, Antje; Chakrabarti, Aparna; Singh, Navdeep; Arroyave, Raymundo; Entel, Peter
    A First‐Principles Investigation of the Compositional Dependent Properties of Magnetic Shape Memory Heusler Alloys
    In: Advanced Engineering Materials, Jg. 14, 2012, Nr. 8, S. 530 – 546
    DOI
  • Nayak, Sanjeev; Gruner, Markus; Sakong, Sung; Sil, Shreekantha; Kratzer, Peter; Behera, Surjyo N.; Entel, Peter
    Anisotropic ferromagnetism in carbon-doped zinc oxide from first-principles studies
    In: Physical Review B: Condensed matter and materials physics, Jg. 86, 2012, Nr. 5, S. 054441
    DOI
  • Entel, Peter; Dannenberg, Antje; Siewert, Mario; Herper, Heike; Gruner, Markus; Comtesse, Denis; Elmers, Hans-Joachim; Kallmayer, Michael
    Basic Properties of Magnetic Shape-Memory Materials from First-Principles Calculations
    In: Metallurgical and Materials Transactions: A, physical Metallurgy and Materials Science, Jg. 43, 2012, Nr. 8, S. 2891 – 2900
    DOI
  • Gruner, Markus; Entel, Peter
    Competition between ordering, twinning, and segregation in binary magnetic 3d-5d nanoparticles : a supercomputing perspective
    International Symposium on Theory and Computations in Molecular and Materials Sciences, Biology, and Pharmacology, February 25 to March 1, 2011, St. Simons, Ga.,
    In: International Journal of Quantum Chemistry, Jg. 112, 2012, Nr. 1, S. 277 – 288
    DOI
  • Grünebohm, Anna; Gruner, Markus; Entel, Peter
    Domain structure in the tetragonal phase of BaTiO3 : from bulk to nanoparticles
    In: Ferroelectrics, Jg. 426, 2012, Nr. 1, S. 21 – 30
    DOI
  • Ener, Semih; Neuhaus, Jürgen; Petry, Winfried; Mole, Richard; Hradil, Klaudia; Siewert, Mario; Gruner, Markus; Entel, Peter; Titov, Ivan; Acet, Mehmet
    Effect of temperature and compositional changes on the phonon properties of Ni-Mn-Ga shape memory alloys
    In: Physical Review B: Condensed matter and materials physics, Jg. 86, 2012, Nr. 14, S. 144305
    DOI
  • Gruner, Markus; Entel, Peter; Minar, Jan; Polesya, Svitlana; Mankovsky, Sergij; Ebert, Hubert
    Electronic and magnetic trends in martensitically transforming Fe–Pd alloys
    In: Journal of Magnetism and Magnetic Materials, Jg. 324, 2012, Nr. 21, S. 3524 – 3529
    DOI
  • Kauffmann-Weiss, Sandra; Hamann, Sven; Gruner, Markus; Schultz, Ludwig; Ludwig, Alfred; Fähler, Sebastian
    Enhancing magnetocrystalline anisotropy of the Fe70Pd30 magnetic shape memory alloy by adding Cu
    In: Acta Materialia, Jg. 60, 2012, Nr. 20, S. 6920 – 6930
    DOI
  • Niemann, Robert; Rößler, Ulrich K.; Gruner, Markus; Heczko, Oleg; Schultz, Ludwig; Fähler, Sebastian
    The Role of Adaptive Martensite in Magnetic Shape Memory Alloys
    In: Advanced Engineering Materials, Jg. 14, 2012, Nr. 8, S. 562 – 581
    DOI
  • Kauffmann-Weiss, Sandra; Hamann, Sven; Gruner, Markus; Buschbeck, Jörg; Ludwig, Alfred; Schultz, Ludwig; Fähler, Sebastian
    Understanding the Magnetic Shape Memory System Fe–Pd–X by Thin Film Experiments and First Principle Calculations
    In: Advanced Engineering Materials, Jg. 14, 2012, Nr. 8, S. 724 – 749
    DOI
  • Antoniak, Carolin; Gruner, Markus; Spasova, Marina; Trunova, Anastasia; Römer, Florian M.; Warland, Anne; Krumme, Bernhard; Fauth, Kai; Sun, Shouheng; Entel, Peter; Farle, Michael; Wende, Heiko
    A guideline for atomistic design and understanding of ultrahard nanomagnets
    In: Nature Communications, Jg. 2, 2011, S. 528
    DOI (Open Access)
  • Siewert, Mario; Gruner, Markus; Dannenberg, Antje; Chakrabarti, Aparna; Herper, Heike; Wuttig, Manfred; Barman, Sudipta R.; Singh, Sanjay; Al-Zubi, Ali; Hickel, Tilmann; Neugebauer, Jörg; Gillessen, Michael; Dronskowski, Richard; Entel, Peter
    Designing shape-memory Heusler alloys from first-principles
    In: Applied Physics Letters (APL), Jg. 99, 2011, Nr. 19, S. 191904
    DOI
  • Gruner, Markus; Entel, Peter
    Impact of local lattice distortions on the structural stability of Fe-Pd magnetic shape-memory alloys
    In: Physical Review B: Condensed matter and materials physics, Jg. 83, 2011, Nr. 21, S. 214415
    DOI
  • Kauffmann-Weiss, Sandra; Gruner, Markus; Backen, Anja; Schultz, Ludwig; Entel, Peter; Fähler, Sebastian
    Magnetic nanostructures by adaptive twinning in strained epitaxial films
    In: Physical Review Letters, Jg. 107, 2011, Nr. 20, 1-5, art. no. 206105
    DOI
  • Gruner, Markus; Entel, Peter
    Structural and magnetic properties of ternary Fe1–xMnxPt nanoalloys from first principles
    In: Beilstein Journal of Nanotechnology, Jg. 2, 2011, S. 162 – 172
    DOI (Open Access)
  • Grünebohm, Anna; Siewert, Mario; Herper, Heike; Gruner, Markus; Entel, Peter
    A comparative study of (Fe, Fe3Si)/GaAs and Heusler/MgO for spintronics applications
    In: Journal of Physics: Conference Series (JPCONF), Jg. 200, 2010, Nr. 7, S. 072038
    DOI
  • Gruner, Markus
    Chemical trends in structure and magnetism of bimetallic nanoparticles from atomistic calculations
    In: Journal of Physics D: Applied Physics, Jg. 43, 2010, Nr. 47, S. 474008
    DOI
  • Dannenberg, Antje; Siewert, Mario; Gruner, Markus; Wuttig, Manfred; Entel, Peter
    Competing structural ordering tendencies in Heusler-type alloys with high Curie temperatures : Fe2CoGa1-xZnx studied by first-principles calculations
    In: Physical Review B: Condensed matter and materials physics, Jg. 82, 2010, Nr. 21, S. 214421
    DOI
  • Gruner, Markus
    Core-shell morphologies of FePt and CoPt nanoparticles : An ab initio comparison
    In: Journal of Physics: Conference Series (JPCONF), Jg. 200, 2010, Nr. 7, S. 072039
    DOI
  • Siewert, Mario; Gruner, Markus; Dannenberg, Antje; Hucht, Alfred; Shapiro, Stephen M.; Xu, Guangyong; Schlagel, Deborah L.; Lograsso, Thomas A.; Entel, Peter
    Electronic structure and lattice dynamics of the magnetic shape-memory alloy Co2NiGa
    In: Physical Review B: Condensed matter and materials physics, Jg. 82, 2010, Nr. 6, 064420
    DOI
  • Buchelnikov, Vasiliy D.; Sokolovskiy, V. V.; Herper, Heike; Ebert, H.; Gruner, Markus; Taskaev, S. V.; Khovaylo, V. V.; Hucht, Alfred; Dannenberg, Antje; Ogura, M.; Akai, H.; Acet, Mehmet; Entel, Peter
    First-principles and Monte Carlo study of magnetostructural transition and magnetocaloric properties of Ni2+xMn1−xGa
    In: Physical Review B: Condensed matter and materials physics, Jg. 81, 2010, Nr. 9, 094411
    DOI
  • Dannenberg, Antje; Gruner, Markus; Entel, Peter
    First-principles study of the structural stability of L11 order in Pt-based alloy
    In: Journal of Physics: Conference Series (JPCONF), Jg. 200, 2010, Nr. 7, S. 072021
    DOI
  • Gruner, Markus; Adeagbo, Waheed A.; Zayak, Alexey T.; Hucht, Alfred; Entel, Peter
    Lattice dynamics and structural stability of ordered Fe3Ni, Fe3Pd and Fe3Pt alloys using density functional theory
    In: Physical Review B: Condensed matter and materials physics, Jg. 81, 2010, Nr. 6, 064109
    DOI
  • Sahoo, Sanjubala; Hucht, Alfred; Gruner, Markus; Entel, Peter; Postnikov, Andrei V.; Ferrer, Jaime; Fernández-Seivane, Lucas; Fritsch, Daniel; Sil, Shreekantha
    Magnetic properties of small Pt-capped Fe, Co, and Ni clusters : A density functional theory study
    In: Physical Review B: Condensed matter and materials physics, Jg. 82, 2010, Nr. 5, 054418
    DOI, Online Volltext
  • Dannenberg, Antje; Siewert, Mario; Gruner, Markus; Wuttig, Manfred; Entel, Peter
    Structural ordering tendencies in the new ferromagnetic Ni-Co-Fe-Ga-Zn Heusler alloys
    In: Physics Procedia, Jg. 10, 2010, S. 144 – 148
    DOI
  • Siewert, Mario; Gruner, Markus; Dannenberg, Antje; Entel, Peter
    Structure, lattice dynamics and Fermi surface of the magnetic shape memory system Co-Ni-Ga from first principles calculations
    In: Physics Procedia, Jg. 10, 2010, S. 138 – 143
    DOI
  • Hamann, Sven; Gruner, Markus; Irsen, Stephan; Buschbeck, Jörg; Bechthold, Christoph; Kock, Iris; Mayr, Stefan G.; Savan, Alan; Thienhaus, Sigurd; Quandt, Eckhard; Fähler, Sebastian; Entel, Peter; Ludwig, Alfred
    The ferromagnetic shape memory system Fe–Pd–Cu
    In: Acta Materialia, Jg. 58, 2010, Nr. 18, S. 5949 – 5961
    DOI
  • Entel, Peter; Gruner, Markus
    Large-scale ab initio simulations of binary transition metal clusters for storage media materials
    In: Journal of Physics: Condensed Matter, Jg. 21, 2009, Nr. 6, 064228
    DOI
  • Gruner, Markus; Entel, Peter
    Simulating functional magnetic materials on supercomputers
    In: Journal of Physics: Condensed Matter, Jg. 21, 2009, Nr. 29, 293201
    DOI
  • Gruner, Markus; Dannenberg, Antje
    Structure and magnetism of near-stoichiometric FePd nanoparticles
    In: Journal of Magnetism and Magnetic Materials, Jg. 321, 2009, Nr. 7, S. 861 – 864
    DOI, Online Volltext (Open Access)
  • Grünebohm, Anna; Herper, Heike; Gruner, Markus; Entel, Peter
    Suitability of Fe/GaAs and (Co,Ni)Mn(Ga,Ge) for Spintronics Applications : An Ab Initio Study
    In: IEEE Transactions on Magnetics (T-MAG), Jg. 45, 2009, Nr. 10, S. 3965 – 3968
    DOI, Online Volltext
  • Dannenberg, Antje; Gruner, Markus; Hucht, Alfred; Entel, Peter
    Surface energies of stoichiometric FePt and CoPt alloys and their implications for nanoparticle morphologies
    In: Physical Review B: Condensed matter and materials physics, Jg. 80, 2009, Nr. 24, 245438
    DOI
  • Uijttewaal, Matthe A.; Hickel, Tilmann; Neugebauer, Jörg; Gruner, Markus; Entel, Peter
    Understanding the phase transitions of the Ni2MnGa magnetic shape memory system from first principles
    In: Physical Review Letters, Jg. 102, 2009, Nr. 3, 035702
    DOI
  • Gruner, Markus; Entel, Peter; Opahle, Ingo; Richter, Manuel
    Ab initio investigation of twin boundary motion in the magnetic shape memory Heusler alloy Ni2MnGa
    In: Journal of Materials Science, Jg. 43, 2008, Nr. 11, S. 3825 – 3831
    DOI
  • Gruner, Markus
    Antiferromagnetism and segregation in cuboctahedral FePt nanoparticles
    In: Journal of Physics D: Applied Physics, Jg. 41, 2008, Nr. 13, S. 134015
    DOI
  • Entel, Peter; Gruner, Markus; Rollmann, Georg; Hucht, Alfred; Sahoo, Sanjubala; Zayak, Alexey T.; Herper, Heike; Dannenberg, Antje
    First-principles investigations of multimetallic transition metal clusters
    In: Philosophical Magazine, Jg. 88, 2008, Nr. 18-20, S. 2725 – 2738
    DOI
  • Gruner, Markus; Adeagbo, Waheed A.; Zayak, Alexey T.; Hucht, Alfred; Buschmann, Stephan; Entel, Peter
    Influence of magnetism on the structural stability of cubic L21 Ni2MnGa
    In: The European Physical Journal - Special Topics: Special Topics, Jg. 158, 2008, Nr. 1, S. 193 – 198
    DOI
  • Entel, Peter; Gruner, Markus; Adeagbo, Waheed A.; Zayak, Alexey T.
    Magnetic-field-induced changes in magnetic shape memory alloys
    In: Materials Science and Engineering A: Structural Materials: Properties, Microstructure and Processing, Jg. 481-482, 2008, S. 258 – 261
    DOI
  • Buchelnikov, Vasiliy D.; Entel, Peter; Taskaev, V. D.; Sokolovskiy, Vladimir V.; Hucht, Alfred; Ogura, Masako; Akai, Hisazumi; Gruner, Markus; Nayak, Sanjeev
    Monte Carlo study of the influence of antiferromagnetic exchange interactions on the phase transitions of ferromagnetic Ni-Mn-X alloys (X=In,Sn,Sb)
    In: Physical Review B: Condensed matter and materials physics, Jg. 78, 2008, S. 184427-1 – 184427-11
    DOI
  • Gruner, Markus; Rollmann, Georg; Entel, Peter; Farle, Michael
    Multiply twinned morphologies of FePt and CoPt nanoparticles
    In: Physical Review Letters, Jg. 100, 2008, S. 087203
    DOI
  • Gruner, Markus; Entel, Peter
    Simulating functional magnetic materials on supercomputers
    In: Psi-k Newsletter, Jg. 89, 2008, S. 36 – 83
    Online Volltext
  • Gruner, Markus; Entel, Peter
    Ab Initio Simulations of Functional Magnetic Materials
    In: inSiDE - Innovatives Supercomputing in Deutschland, Jg. 5, 2007, Nr. 2, S. 34 – 39
    Online Volltext
  • Entel, Peter; Gruner, Markus; Adeagbo, Waheed A.; Eklund, C.-J.; Zayak, Alexey T.; Akai, Hisazumi; Acet, Mehmet
    Ab initio modeling of martensitic transformations (MT) in magnetic shape memory alloys
    In: Journal of Magnetism and Magnetic Materials, Jg. 310, 2007, Nr. 2, S. 2761 – 2763
    DOI
  • Gruner, Markus; Entel, Peter
    Magnetic properties of nanostructured hollow microspheres
    In: Journal of Magnetism and Magnetic Materials, Jg. 310, 2007, Nr. 2, S. 2453 – 2455
    DOI
  • Rollmann, Georg; Gruner, Markus; Hucht, Alfred; Meyer, Ralf; Entel, Peter; Tiago, Murilo L.; Chelikowsky, James R.
    Shellwise Mackay Transformation in Iron Nanoclusters
    In: Physical Review Letters, Jg. 99, 2007, 083402
    DOI
  • Gruner, Markus; Rollmann, Georg; Sahoo, Sanjubala; Entel, Peter
    Magnetism of close packed Fe147 clusters
    In: Phase Transitions, Jg. 79, 2006, Nr. 9-10, S. 701 – 707
    DOI
  • Entel, Peter; Buchelnikov, Vasiliy D.; Khovailo, V. V.; Zayak, Alexey T.; Adeagbo, Waheed A.; Gruner, Markus; Herper, Heike; Wassermann, Eberhard
    Modelling the phase diagram of magnetic shape memory Heusler alloys
    In: Journal of Physics D: Applied Physics, Jg. 39, 2006, Nr. 5, S. 865 – 889
    DOI
  • Nayak, Sanjeev; Gruner, Markus; Entel, Peter
    Possible one-dimensional structures obtained from transition metal atom doped silicon nanoclusters
    In: Phase Transitions, Jg. 79, 2006, Nr. 9-10, S. 709 – 716
    DOI
  • Nayak, Sanjeev; Gruner, Markus; Entel, Peter
    Domain formation in hollow spherical Invar nano-particles
    In: Phase Transitions, Jg. 78, 2005, Nr. 9 - 11, S. 711 – 721
    DOI
  • Schlachter, Arnold; Gruner, Markus; Spasova, Marina; Farle, Michael; Entel, Peter
    Preparation and properties of nanostructured magnetic hollow microspheres: experiment and simulation
    In: Phase Transitions, Jg. 78, 2005, Nr. 9 - 11, S. 741 – 750
    DOI, Online Volltext
  • Gruner, Markus; Entel, Peter
    Simulation of the (p, T) phase diagram of the temperature-driven metamagnet alpha-FeRh
    In: Phase Transitions, Jg. 78, 2005, Nr. 1 - 3, S. 209 – 217
    DOI, Online Volltext
  • Gruner, Markus; Hoffmann, Egbert; Entel, Peter
    Instability of the rhodium magnetic moment as the origin of the metamagnetic phase transition in α-FeRh
    In: Physical Review B: Condensed matter and materials physics, Jg. 67, 2003, S. 064415
    DOI, Online Volltext
  • Kadau, Kai; Gruner, Markus; Entel, Peter; Kreth, Magnus
    Modeling Structural and Magnetic Phase Transitions in Iron-Nickel Nanoparticles
    In: Phase Transitions, Jg. 76, 2003, Nr. 4 & 5, S. 355 – 365
    DOI
  • Gruner, Markus; Entel, Peter
    High-moment - low-moment description of magnetovolume effects in Y(MnxAl1-x)2 and YxSc1-xAl2
    In: Phase Transitions, Jg. 75, 2002, Nr. 1 & 2, S. 221 – 230
    DOI, Online Volltext
  • Gruner, Markus; Sil, Shreekantha; Entel, Peter
    Simulation of Magnetovolume Effects in Fe65Ni35 Nanoparticles
    In: Progress of Theoretical Physics Supplement, Jg. 138, 2000, S. 154 – 155
    Online Volltext
  • Gruner, Markus; Meyer, Ralf; Entel, Peter
    Monte Carlo simulations of high-moment : low-moment transitions in Invar alloys
    In: The European Physical Journal B: Condensed Matter and Complex Systems, Jg. 2, 1998, Nr. 1, S. 107 – 119
    DOI
  • Gruner, Markus; Entel, Peter
    Monte Carlo simulations of magnetovolume instabilities in anti-Invar systems
    In: Computational Materials Science, Jg. 10, 1998, Nr. 1-4, S. 230 – 234
    DOI

    • Abstracts

  • Buchelnikov, Vasiliy D.; Sokolovskiy, Vladimir V.; Gruner, Markus; Entel, Peter
    Magnetic states of the Ni1.75Co0.25Mn1.25Cr0.25In0.5 Heusler alloy
    In: 2015 IEEE International Magnetics Conference (INTERMAG 2015): Vol. 1 / 2015 IEEE International Magnetics Conference ; INTERMAG 2015 ; Beijing, China, 11 - 15 May 2015. Piscataway, NJ: IEEE, 2015, S. 262
    DOI

    • Beiträge in Sammelwerken und Tagungsbänden

  • Entel, Peter; Gruner, Markus; Acet, Mehmet; Hucht, Alfred; Çakır, Aslı; Arróyave, Raymundo; Karaman, Ibrahim; Duong, Thien Chi; Talapatra, Anjana; Bruno, Nickolaus M.; Salas, Daniel; Mankovsky, Sergiy; Sandratskii, Leonid M.; Gottschall, Tino; Gutfleisch, Oliver; Sahoo, Sanjubala; Fähler, Sebastian; Lázpita, Patricia; Chernenko, Volodymyr A.; Barandiaran, J.M.; Buchelnikov, Vasiliy D.; Sokolovskiy, Vladimir V.; Lookman, Turab; Ren, Xiaobin
    Probing glassiness in Heuslers via density functional theory calculations
    In: Frustrated Materials and Ferroic Glasses. Cham: Springer Verlag, 2018, S. 153 – 182
    DOI
  • Sokolovskiy, V.V.; Buchelnikov, V.D.; Gruner, Markus; Entel, Peter
    First-principles calculations of magnetic properties of Cr-doped Ni45Co5Mn37In13 Heusler alloys
    In: IEEE Magnetics Conference (INTERMAG), 2015 / IEEE International Magnetics Conference, 11 - 15 May 2015, Beijing, China. Piscataway: Institute of Electrical and Electronics Engineers Inc., 2015
    DOI
  • Sokolovskiy, Vladimir V.; Buchelnikov, Vasiliy D.; Gruner, Markus; Entel, Peter
    First-principles calculations of magnetic properties of Cr-doped Ni45Co5Mn37In13 Heusler alloys
    In: 2015 IEEE International Magnetics Conference, INTERMAG 2015: Vol. 1 / 2015 IEEE International Magnetics Conference ; INTERMAG 2015 ; Beijing, China, 11 - 15 May 2015. Piscataway, NJ: IEEE, 2015, S. 292
  • Gruner, Markus; Entel, Peter
    Nanometre-Scale ab initio investigations of functional magnetic materials
    In: NIC Symposium 2014: Proceedings / John von Neumann Institute for Computing ; NIC ; 12-13 February 2014, Jülich / Binder, Kurt; Münster, Gernot; Kremer, Manfred (Hrsg.). Jülich: Forschungzentrum Jülich, 2014, S. 215 – 222
    Online Volltext (Open Access)
  • Nayak, Sanjeev; Ney, Andreas; Gruner, Markus; Tripathi, Gouri S.; Behera, Surjyo N.; Entel, Peter
    Absence of ferromagnetic interaction in Co-Co nearest neighbor impurity pairs in ZnO: An analysis from GGA+U studies
    In: Functional Materials: Proceedings of the International Workshop on Functional Materials (IWFM-2011) / International Workshop on Functional Materials, Berhampur, Odisha, India, 20 - 22 December 2011 / Bose, Shyamalendu M.; Tripathy, S. K. (Hrsg.). Melville, NY: American Institute of Physics, 2012, S. 261 – 266
    DOI
  • Entel, Peter; Sahoo, Sanjubala; Siewert, Mario; Gruner, Markus; Herper, Heike; Comtesse, Denis; Acet, Mehmet; Buchelnikov, Vasiliy D.; Sokolovskiy, Vladimir V.
    First-principles investigations of caloric effects in ferroic materials
    In: Functional Materials: Proceedings of the International Workshop on Functional Materials (IWFM-2011) / International Workshop on Functional Materials (IWFM-2011), 20–22 December 2011, Berhampur, Odisha, India / Bose, Shyamalendu M.; Tripathy, S. K. (Hrsg.). Melville, NY: American Institue of Physics, 2012, S. 11 – 23
    DOI
  • Aksoy, Seda; Acet, Mehmet; Krenke, Thorsten; Wassermann, Eberhard; Gruner, Markus; Entel, Peter; Manosa, Lluis; Planes, Antoni; Deen, Pascale P.
    Magnetic Interactions Governing the Inverse Magnetocaloric Effect in Martensitic Ni–Mn-Based Shape-memory Alloys
    In: Disorder and Strain-Induced Complexity in Functional Materials / Kakeshita, Tomoyuki; Fukuda, Takashi; Saxena, Avadh; Planes, Antoni (Hrsg.). Heidelberg: Springer, 2012, S. 67 – 77
    DOI
  • Sahoo, Sanjubala; Gruner, Markus; Hucht, Alfred; Rollmann, Georg; Entel, Peter
    Nucleation, structure and magnetism of transition metal clusters from first principles
    In: Nanoparticles from the gasphase: formation, structure, properties / Lorke, Axel; Winterer, Markus; Schmechel, Roland; Schulz, Christof (Hrsg.). Heidelberg: Springer, 2012, S. 77 – 98
    DOI
  • Entel, Peter; Gruner, Markus; Hucht, Alfred; Dannenberg, Antje; Siewert, Mario; Herper, Heike; Kakeshita, Tomoyuki; Fukuda, Takashi; Sokolovskiy, Vladimir V.; Buchelnikov, Vasiliy D.
    Phase Diagrams of Conventional and Inverse Functional Magnetic Heusler Alloys : New Theoretical and Experimental Investigations
    In: Disorder and Strain-Induced Complexity in Functional Materials / Kakeshita, Tomoyuki; Fukuda, Takashi; Saxena, Avadh; Planes, Antoni (Hrsg.). Heidelberg: Springer, 2012, S. 19 – 47
    DOI
  • Entel, Peter; Comtesse, Denis; Herper, Heike; Gruner, Markus; Siewert, Mario; Sahoo, Sanjubala; Hucht, Alfred
    Ab-initio modeling of Fe-Mn based alloys and nanoclusters
    In: New Methods in Steel Design: Steel Ab Initio / 2010 MRS Fall Meeting, November 29 - December 3, 2010 Boston, Massachusetts, USA. New York: Cambridge Univ. Press, 2011, S. 80 – 91
    DOI
  • Entel, Peter; Dannenberg, Antje; Siewert, Mario; Herper, Heike; Gruner, Markus; Buchelnikov, Vasiliy D.; Chernenko, Volodymyr A.
    Composition-Dependent basics of smart Heusler materials from first-principles calculations
    In: Advances in Magnetic Shape Memory Materials: special topic volume with invited peer reviewed papers only / Chernenko, V.A.. Zürich: Trans Tech Publications, 2011, S. 1 – 29
    DOI
  • Entel, Peter; Sahoo, Sanjubala; Hucht, Alfred; Gruner, Markus
    From Tiny Magnetic Clusters to Functional Magnetic Materials
    In: International Conference on Advances in Condensed and Nano Materials / ICACNM‐2011; Chandigarh India; 23 – 26 February 2011 / Tripathi, S. K.; Dharamvir, Keya; Kumar, Ranjan; Saini, G. S. S. (Hrsg.). Woodbury: American Institute of Physics (AIP), 2011, S. 50 – 53
    DOI
  • Dannenberg, Antje; Gruner, Markus; Wuttig, Manfred; Entel, Peter
    First-principles study of ferromagnetic Ni2CoGa(Zn) alloys in the Heusler and the inverse Heusler structure
    In: Materials Research Society Symposium Proceedings / 2009 MRS Fall Meeting; Boston, MA; United States; 30 November 2009 through 4 December 2009 / Quandt, E.; Wuttig, M.; Kakeshita, T.; Fähler, S. (Hrsg.). Warrendale, PA: Materials Research Society, Jg. 1200, 2010, S. 79 – 85
    DOI
  • Gruner, Markus
    First-principles study of static displacements in Fe-Pd magnetic shape-memory alloys
    In: Materials Research Society Symposium Proceedings / 2009 MRS Fall Meeting; Boston, MA; United States; 30 November 2009 through 4 December 2009 / Quandt, E.; Wuttig, M.; Kakeshita, T.; Fähler, S. (Hrsg.). Warrendale, PA: Materials Research Society, 2010, S. 13 – 18
    DOI
  • Entel, Peter; Gruner, Markus; Dannenberg, Antje; Siewert, Mario; Nayak, Sanjeev; Herper, Heike; Buchelnikov, Vasiliy D.
    Fundamental Aspects of Magnetic Shape Memory Alloys : Insights from Ab Initio and Monte Carlo Studies
    In: Ferromagnetic Shape Memory Alloys II / 2nd International Conference on Ferromagnetic Shape Memory Alloys (ICFSMA), 1–3 July 2009, Bilbao, Spain / Chernenko, V. A.; Barandiaran, J. M. (Hrsg.). Zürich: Trans Tech Publications, 2010, S. 3 – 12
    DOI
  • Entel, Peter; Siewert, Mario; Dannenberg, Antje; Gruner, Markus; Wuttig, Manfred
    New Functional Magnetic Shape Memory Alloys from First-Principles Calculations
    In: Magnetic shape memory alloys / MRS fall meeting: Symposium G: Magnetic Shape Memory Alloys; 2009.11.30-12.04; Boston, USA / Quandt, E.; Wuttig, M.; Kakeshita, T.; Fähler, S. (Hrsg.). Warrendale: Materials Research Society, 2010, 1200-G04-01
    DOI
  • Dannenberg, Antje; Gruner, Markus; Wuttig, Manfred; Entel, Peter
    Characterization of new ferromagnetic Fe-Co-Zn-Ga alloys by ab initio investigations
    In: ESOMAT 2009 - The 8th European Symposium on Martensitic Transformations / ESOMAT 2009; Prague, Czech Republic; September 7-11, 2009 / Šittner, Petr; Paidar, Václav; Heller, Luděk; Seiner, Hanuš (Hrsg.): EDP Sciences, 2009, S. 04004
    DOI
  • Entel, Peter; Gruner, Markus; Hucht, Alfred
    A first-principles study of the martensitic instabilities in magnetic shape memory alloys
    In: Magnetic shape memory alloys / MRS Fall Meeting, November 26-30, 2007 Boston, USA. Red Hook: Curran Associates, 2008, S. 36 – 40
  • Gruner, Markus; Rollmann, Georg; Entel, Peter
    Large-Scale First-Principles Calculations of Magnetic Nanoparticles
    In: NIC Symposium 2008 / Münster, Gernot; Wolf, Dietrich; Kremer, Manfred (Hrsg.). Jülich: John von Neumann Institute for Computing, 2008, S. 161 – 168
    Online Volltext
  • Entel, Peter; Buchelnikov, Vasiliy D.; Gruner, Markus; Hucht, Alfred; Khovailo, Vladimir V.; Nayak, Sanjeev; Zayak, Alexey T.
    Shape Memory Alloys : A Summary of Recent Achievements
    In: Advances in shape memory materials: Magnetic shape memory alloys : special topic volume, invited papers only / Chernenko, V. A. (Hrsg.). Zürich: Trans Tech Publications, 2008, S. 21 – 42
    DOI
  • Entel, Peter; Gruner, Markus; Hucht, Alfred; Meyer, Ralf; Rollmann, Georg; Sahoo, Sanjubala; Nayak, Sanjeev
    Simulating structure, magnetism and electronic properties of monoatomic, binary and ternary transition metal nanoclusters
    In: Mesoscopic, nanoscopic, and macroscopic materials: Proceedings of the International Workshop on Mesoscopic, Nanoscopic, and Macroscopic Materials (IWMNMM-2008), Bhubaneswar, India, 2 - 4 January 2008 / Bose, Shyamalendu M.; Behera, Surjyu Narayana; Roul, B. K. (Hrsg.). Melville: American Institute of Physics, 2008, S. 3 – 17
    DOI
  • Gruner, Markus; Rollmann, Georg; Hucht, Alfred; Entel, Peter
    Structural and Magnetic Properties of Transition Metal Nanoparticles from First Principles
    In: Advances in Solid State Physics. Berlin: Springer, 2008, S. 117 – 128
    DOI
  • Sudfeld, Daniela; Dmitrieva, Olga; Friedenberger, Nina; Dumpich, Günter; Farle, Michael; Song, ChengYu; Kisielowski, Christian; Gruner, Markus; Entel, Peter
    HR-TEM studies of FePt nanoparticles by exit wave reconstruction
    In: Nanoscale magnetics and device applications: April 9 - 13, 2007, San Francisco, California, USA / Nanoscale magnetics and device applications ; April 9-13, 2007 San Francisco, California, USA. Red Hook, NY: Curran, 2007, S. 20 – 26
  • Gruner, Markus; Rollmann, Georg; Hucht, Alfred; Entel, Peter
    Massively Parallel Density Functional Theory Calculations of Large Transition Metal Clusters
    In: Recent Progress in Computational Sciences and Engineering / Simos, Theodore; Maroulis, George (Hrsg.). Leiden: Brill Academic Publishers, 2006, S. 173 – 176
    Online Volltext
  • Entel, Peter; Adeagbo, Waheed A.; Zayak, Alexey T.; Gruner, Markus
    Supercomputer Based ab initio Investigations of Martensitically Transforming Alloys
    In: NIC Symposium 2006 (NIC Series; Vol. 32) / Münster, Gernot; Wolf, Dietrich; Kremer, Manfred (Hrsg.). Jülich: John von Neumann Institute for Computing, 2006, S. 159 – 166
    Online Volltext
  • Gruner, Markus; Sil, Shreekantha; Entel, Peter
    Monte Carlo study of the magnetoelastic properties of Fe-Ni clusters
    In: International Symposium on Structure and Dynamics of Heterogeneous Systems: from atoms, molecules and clusters in complex environment to thin films and multilayers / International Symposium on Structure and Dynamics of Heterogeneous Systems ; 24 - 26 February 1999, Duisburg, Germany / Entel, Peter; Wolf, Dietrich (Hrsg.). Singapore: World Scientific, 2000, S. 156 – 166
    DOI

    • Bücher/Sammelwerke/Tagungsbände

  • Gruner, Markus
    Understanding the functional properties of nanostructured magnetic materials from first-principles
    Duisburg, Essen, 2014
    Online Volltext, Online Volltext (Open Access)

    • Dissertation

  • Gruner, Markus
    Monte-Carlo-Simulationen von Magnetovolumeneffekten in Festkörpern und Nanopartikeln
    2003
    Online Volltext, Online Volltext