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Fakultät für Physik, Theoretische Physik

Anschrift
Mülheimer Str
47057 Duisburg
Raum
ME 128

Funktionen

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

  • Stellv. Mitglied 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

  • 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 (2024) in press
  • 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
  • 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
  • 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
  • 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
  • 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 (2023) 2300319 in press
  • 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
  • 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
  • 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
  • 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
  • Heckschen, Markus; Beyazit, Yasin; Shomali, Elaheh; Kühne, Florian; Jayabalan, Jesumony; Zhou, Ping; Diesing, Detlef; Gruner, Markus; 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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)
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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)
  • 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
  • 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,
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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 Jg. 43 (2012) Nr. 8, S. 2891 - 2900
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • Gruner, Markus; Entel, Peter
    Simulating functional magnetic materials on supercomputers
    In: Journal of Physics: Condensed Matter Jg. 21 (2009) Nr. 29, 293201
  • 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
  • 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
  • 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
  • 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, S. 035702
  • 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
  • Gruner, Markus
    Antiferromagnetism and segregation in cuboctahedral FePt nanoparticles
    In: Journal of Physics D: Applied Physics Jg. 41 (2008) Nr. 13, S. 134015
  • 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
  • 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
  • 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
  • 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
  • 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
  • Gruner, Markus; Entel, Peter
    Simulating functional magnetic materials on supercomputers
    In: Psi-k Newsletter Jg. 89 (2008) S. 36 - 83
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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 (2015) S. 262
  • 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 2018, S. 153 - 182
  • 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 2015
  • 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 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.) 2014, S. 215 - 222
  • 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.) 2012, S. 261 - 266
  • 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.) 2012, S. 11 - 23
  • 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.) 2012, S. 67 - 77
  • 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.) 2012, S. 77 - 98
  • 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.) 2012, S. 19 - 47
  • 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 2011, S. 80 - 91
  • 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. 2011, S. 1 - 29
  • 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.) 2011, S. 50 - 53
  • 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.) Jg. 1200 2010, S. 79 - 85
  • 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.) 2010, S. 13 - 18
  • 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.) 2010, S. 3 - 12
  • 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.) 2010 1200-G04-01
  • 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.) 2009, S. 04004
  • 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 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.) 2008, S. 161 - 168
  • 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.) 2008, S. 21 - 42
  • 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.) 2008, S. 3 - 17
  • 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 2008, S. 117 - 128
  • 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 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.) 2006, S. 173 - 176
  • 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.) 2006, S. 159 - 166
  • 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.) 2000, S. 156 - 166
  • Bücher/Sammelwerke/Tagungsbände

  • Gruner, Markus
    Understanding the functional properties of nanostructured magnetic materials from first-principles
    Duisburg, Essen (2014) X, 171 S. : Ill., graph. Darst.
  • Dissertation

  • Gruner, Markus
    Monte-Carlo-Simulationen von Magnetovolumeneffekten in Festkörpern und Nanopartikeln
    (2003) XII, 143 S.