113 citations · 838 across the 25 of their papers we have counts for
7 papers · 1 filter
Metadynamics study of the temperature dependence of magnetic anisotropy and spin-reorientation transitions in ultrathin films
Balázs Nagyfalusi, László Udvardi, László Szunyogh
We employ metadynamics simulations to calculate the free energy landscape of thin ferromagnetic films and perform a systematic study of the temperature dependence of magnetic aniso…
Magnetic structure of monatomic Fe chains on Re(0001): emergence of chiral multi-spin interactions
András Lászlóffy, Levente Rózsa, Krisztián Palotás +2
We present results of first-principles calculations of the magnetic properties of Fe chains deposited on the Re(0001) surface. By increasing the length of the chain, a transition i…
Exchange interactions from a nonorthogonal basis set: from bulk ferromagnets to the magnetism in low-dimensional graphene systems
László Oroszlány, Jaime Ferrer, András Deák +2
We present a computational method to determine the exchange constants in isotropic spin models. The method uses the Hamiltonian and overlap matrices computed from density functiona…
Atomistic simulation of finite temperature magnetism of nanoparticles: application to cobalt clusters on Au(111)
András Lászlóffy, László Udvardi, László Szunyogh
We developed a technique to determine suitable spin models for small embedded clusters of arbitrary geometry by combining the spin-cluster expansion with the relativistic disordere…
Skyrmions with attractive interactions in an ultrathin magnetic film
Levente Rózsa, András Deák, Eszter Simon +4
We determined the parameters of a classical spin Hamiltonian describing an Fe monolayer on Pd(111) surface with a Pt_{1-x}Ir_{x} alloy overlayer from ab initio calculations. While…
Theoretical study of magnetic domain walls through a cobalt nanocontact
László Balogh, Krisztián Palotás, László Udvardi +2
To calculate the magnetic ground state of nanoparticles we present a self-consistent first principles method in terms of a fully relativistic embedded cluster multiple scattering G…
The exchange coupling between the valence electrons of the fullerene cage and the electrons of the N atoms in N@C60^{-1,3}
L. Udvardi
MCSCF calculations are performed in order to determine the exchange coupling between the 2p electrons of the N atom and the LUMOs of the fullerene cage in the case of mono- and tri…