@article{MTMT:32923926,
	title = {Current-induced switching of antiferromagnetic order in Mn2Au from first principles},
	url = {https://m2.mtmt.hu/api/publication/32923926},
	author = {Selzer, Severin and Salemi, Leandro and Deák, András and Simon, Eszter and Szunyogh, László and Oppeneer, Peter M. and Nowak, Ulrich},
	doi = {10.1103/PhysRevB.105.174416},
	journal-iso = {PHYS REV B},
	journal = {PHYSICAL REVIEW B},
	volume = {105},
	unique-id = {32923926},
	issn = {2469-9950},
	abstract = {It is well established that it is possible to switch certain antiferromagnets electrically, yet the interplay of Neel-spin-orbit torques and thermal activation is only poorly understood. Combining ab initio calculations and atomistic spin dynamics simulations we develop a multiscale model to study the current-induced switching in Mn2Au. We compute from first principles the strength and direction of the electrically induced magnetic moments, caused by the Rashba-Edelstein effect, and take these into account in atomistic spin dynamics simulations. Our simulations reveal the switching paths as well as the timescales for switching. The size of the induced moments, however, turns out to be insufficient to lead to fully deterministic switching. Instead, we find that a certain degree of thermal activation is required to help overcome the relevant energy barrier.},
	keywords = {Materials Science, Multidisciplinary; Physics, Applied},
	year = {2022},
	eissn = {2469-9969},
	orcid-numbers = {Deák, András/0000-0002-3210-2947}
}

@article{MTMT:32639473,
	title = {Tuning Ferromagnetism in a Single Layer of Fe above Room Temperature},
	url = {https://m2.mtmt.hu/api/publication/32639473},
	author = {Zdyb, R. and Palotás, Krisztián and Simon, Eszter and Jaroch, T. and Korczak, Z.},
	doi = {10.3390/ma15031019},
	journal-iso = {MATERIALS},
	journal = {MATERIALS},
	volume = {15},
	unique-id = {32639473},
	abstract = {The crystallographic and magnetic properties of an Fe monolayer (ML) grown on 2 ML Au/W(110) substrate are studied with spin-polarized low-energy electron microscopy, density functional theory, and relativistic screened Korringa–Kohn–Rostoker calculations. The single layer of iron atoms possesses hexagonal symmetry and reveals a ferromagnetic order at room temperature. We experimentally demonstrate the possibility of tuning the Curie temperature and the magnitude of magnetization of the Fe monolayer by capping with Au. Taking into account several structural models, the calculation results mostly show ferromagnetic states with enhanced magnetic moments of Fe atoms compared to their bulk value and a further increase in their value after covering with Au. The theoretically calculated Curie temperatures are in fair agreement with those obtained in the experiments. The calculations, furthermore, found evidence for the presence of frustrated isotropic Fe–Fe exchange interactions, and a discussion of the structural effects on the magnetic properties is provided herein.},
	year = {2022},
	eissn = {1996-1944},
	orcid-numbers = {Palotás, Krisztián/0000-0002-1914-2901}
}

@article{MTMT:34081189,
	title = {Electric-field control of exchange interactions},
	url = {https://m2.mtmt.hu/api/publication/34081189},
	author = {Mankovsky, S. and Simon, Eszter and Polesya, S. and Marmodoro, A. and Ebert, H.},
	doi = {10.1103/PhysRevB.104.174443},
	journal-iso = {PHYS REV B},
	journal = {PHYSICAL REVIEW B},
	volume = {104},
	unique-id = {34081189},
	issn = {2469-9950},
	year = {2021},
	eissn = {2469-9969}
}

@article{MTMT:31946969,
	title = {Theoretical study on the electric field effect on magnetism of Pd/Co/Pt thin films},
	url = {https://m2.mtmt.hu/api/publication/31946969},
	author = {Simon, Eszter and Marmodoro, A. and Mankovsky, S. and Ebert, H.},
	doi = {10.1103/PhysRevB.103.064406},
	journal-iso = {PHYS REV B},
	journal = {PHYSICAL REVIEW B},
	volume = {103},
	unique-id = {31946969},
	issn = {2469-9950},
	year = {2021},
	eissn = {2469-9969}
}

@article{MTMT:31651652,
	title = {High-resolution tunneling spin transport characteristics of topologically distinct magnetic skyrmionic textures from theoretical calculations},
	url = {https://m2.mtmt.hu/api/publication/31651652},
	author = {Palotás, Krisztián and Rózsa, Levente and Simon, Eszter and Szunyogh, László},
	doi = {10.1016/j.jmmm.2020.167440},
	journal-iso = {J MAGN MAGN MATER},
	journal = {JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS},
	volume = {519},
	unique-id = {31651652},
	issn = {0304-8853},
	year = {2021},
	eissn = {1873-4766},
	orcid-numbers = {Palotás, Krisztián/0000-0002-1914-2901; Rózsa, Levente/0000-0001-9456-5755}
}

@article{MTMT:31669484,
	title = {Long-range focusing of magnetic bound states in superconducting lanthanum},
	url = {https://m2.mtmt.hu/api/publication/31669484},
	author = {Kim, Howon and Rózsa, Levente and Schreyer, Dominik and Simon, Eszter and Wiesendanger, Roland},
	doi = {10.1038/s41467-020-18406-8},
	journal-iso = {NAT COMMUN},
	journal = {NATURE COMMUNICATIONS},
	volume = {11},
	unique-id = {31669484},
	issn = {2041-1723},
	year = {2020},
	eissn = {2041-1723},
	orcid-numbers = {Rózsa, Levente/0000-0001-9456-5755}
}

@article{MTMT:31645800,
	title = {Noncollinear antiferromagnetic states in Ru-based Hensler compounds induced by biquadratic coupling},
	url = {https://m2.mtmt.hu/api/publication/31645800},
	author = {Simon, Eszter and Donges, Andreas and Szunyogh, László and Nowak, Ulrich},
	doi = {10.1103/PhysRevMaterials.4.084408},
	journal-iso = {PHYS REV MAT},
	journal = {PHYSICAL REVIEW MATERIALS},
	volume = {4},
	unique-id = {31645800},
	issn = {2475-9953},
	abstract = {We investigate the magnetic properties of Ru(2)MnZ (Z = Sn, Sb, Ge, Si) chemically ordered, full Heusler compounds for zero as well as finite temperatures. Based on first-principles calculations we derive the interatomic isotropic bilinear and biquadratic couplings between Mn atoms from the paramagnetic state. We find frustrated isotropic couplings for all compounds and, in the case of Z = Si and Sb, a nearest-neighbor biquadratic coupling that favors perpendicular alignment between the Mn spins. By using an extended classical Heisenberg model in combination with spin dynamics simulations we obtain the magnetic equilibrium states. From these simulations we conclude that the biquadratic coupling, in combination with the frustrated isotropic interactions, leads to noncollinear magnetic ground states in the Ru2MnSi and Ru2MnSb compounds. In particular, for these alloys we find two distinct, noncollinear ground states which are energetically equivalent and can be identified as 3Q and 4Q states on a frustrated fcc lattice. Investigating the thermal stability of the noncollinear phase we find that, in the case of Ru2MnSi, the multiple-Q phase undergoes a transition to the single Q phase, while in case of Ru2MnSb the corresponding transition is not obtained due to the larger magnitude of the nearest-neighbor biquadratic coupling.},
	keywords = {GE; PHASE-TRANSITIONS; MAGNETIC-STRUCTURES; COO; Heusler},
	year = {2020},
	eissn = {2475-9953},
	orcid-numbers = {Simon, Eszter/0000-0003-3527-1233; Nowak, Ulrich/0000-0003-2925-6774}
}

@article{MTMT:31788306,
	title = {Magnetic and magnetocaloric properties of the Co2-xMnxB system by experiment and density functional theory},
	url = {https://m2.mtmt.hu/api/publication/31788306},
	author = {Ener, S and Fries, M and Hammerath, F and Opahle, I and Simon, Eszter and Fritsch, P and Wurmehl, S and Zhang, HB and Gutfleisch, O},
	doi = {10.1016/j.actamat.2018.11.034},
	journal-iso = {ACTA MATER},
	journal = {ACTA MATERIALIA},
	volume = {165},
	unique-id = {31788306},
	issn = {1359-6454},
	year = {2019},
	eissn = {1873-2453},
	pages = {270-277}
}

@article{MTMT:30869234,
	title = {Spin-spiral formalism based on the multiple-scattering Green's function technique with applications to ultrathin magnetic films and multilayers},
	url = {https://m2.mtmt.hu/api/publication/30869234},
	author = {Simon, Eszter and Szunyogh, László},
	doi = {10.1103/PhysRevB.100.134428},
	journal-iso = {PHYS REV B},
	journal = {PHYSICAL REVIEW B},
	volume = {100},
	unique-id = {30869234},
	issn = {2469-9950},
	abstract = {Based on the Korringa-Kohn-Rostoker Green's function technique, we present a computational scheme for calculating the electronic structure of layered systems with homogeneous spin-spiral magnetic state. From the self-consistent nonrelativistic calculations, the total energy of the spin-spiral states is determined as a function of the wave vector, while a relativistic extension of the formalism in first order of the spin-orbit coupling gives an access to the effect of the Dzyaloshinskii-Moriya interactions. We demonstrate that the newly developed method properly describes the magnetic ground state of a Mn monolayer on W(001) and that of a Co monolayer on Pt(111). The obtained spin-spiral energies are mapped to a classical spin model, the parameters of which are compared to those calculated directly from the relativistic torque method. In case of the Co/Pt(111) system, we find that the isotropic interaction between the Co atoms is reduced and the Dzyaloshinskii-Moriya interaction is increased when capped by a Ru layer. In addition, we perform spin-spiral calculations on Ir/Fe/Co/Pt and Ir/Co/Fe/Pt multilayer systems and find a spin-spiral ground state with very long wavelength due to the frustrated isotropic couplings between the Fe atoms, whereas the Dzyaloshinskii-Moriya interaction strongly depends on the sequence of the Fe and Co layers.},
	keywords = {STATES; METALS; CRYSTALS; Anisotropy; BAND-STRUCTURE; SKYRMIONS; Exchange interactions; Materials Science, Multidisciplinary; Physics, Applied; ENERGY-ELECTRON DIFFRACTION; CELLULAR METHOD},
	year = {2019},
	eissn = {2469-9969}
}

@article{MTMT:3415664,
	title = {Magnetism and exchange-bias effect at the MnN/Fe interface},
	url = {https://m2.mtmt.hu/api/publication/3415664},
	author = {Simon, Eszter and Yanes, R. and Khmelevskyi, S. and Palotás, Krisztián and Szunyogh, László and Nowak, U.},
	doi = {10.1103/PhysRevB.98.094415},
	journal-iso = {PHYS REV B},
	journal = {PHYSICAL REVIEW B},
	volume = {98},
	unique-id = {3415664},
	issn = {2469-9950},
	abstract = {Based on ab initio calculations and spin dynamics simulations, we perform a detailed study on the magnetic properties of bulk MnN and the MnN/Fe interface. We determine the spin model parameters for the theta-phase of bulk MnN, and we find that the competition between the nearest and the next-nearest-neighbor interactions leads to antiferromagnetic ordering of the Mn spins, in agreement with previous theoretical and experimental results. At the MnN/Fe interface, a sizable Dzyaloshinskii-Moriya interaction appears leading to a stable exchange-bias effect. We study the dependences of the exchange-bias effect on the thicknesses of the ferromagnetic and the antiferromagnetic layers, and we compare them to experimentally obtained results [Meinert et al., Phys. Rev. B 92,144408 (2015)].},
	keywords = {MODEL; METALS; Anisotropy; ANTIFERROMAGNETS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; Materials Science, Multidisciplinary; Physics, Applied; BLOCKING TEMPERATURE},
	year = {2018},
	eissn = {2469-9969},
	orcid-numbers = {Palotás, Krisztián/0000-0002-1914-2901}
}