2016/09/24 by Danis I. Badrtdinov, D. I. Badrtdinov, S. A. Nikolaev +3 · 28 citations
Physics and Astronomy · #Anisotropy #Antiferromagnetism #Condensed matter physics #Coupling (piping) #Density functional theory #Electron #Lattice (music) #Magnetic field #Magnetic properties of thin films #Materials science #Physics #Physics of Superconductivity and Magnetism #Quantum mechanics #Spin (aerodynamics) #Superexchange #Surface and Thin Film Phenomena #cond-mat.str-el
paper · pdf · doi:10.1103/physrevb.94.224418
published in Physical review. B./Physical review. B 94(22) (American Physical Society) · 10 pages
arxiv created 2016/09/24 · openalex publication_date 2016/12/19 · arxiv updated 2016/12/28 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
We study the magnetic properties of the adatom systems on a semiconductor surface Si(111):C,Si,Sn,Pb-(√(3)\ifmmode×\else\texttimes\fi√(3)). On the basis of all-electron density functional theory calculations we construct effective low-energy models taking into account spin-orbit coupling and electronic correlations. The Hartree-Fock simulations for the unit cell with nine correlated orbitals put forward insulating ground states with the noncollinear 120^\ensuremath∘-N'eel (for C, Si, Sn monolayer coverages) and 120^\ensuremath∘-row-wise (for Pb adatom) antiferromagnetic orderings. The corresponding spin Hamiltonians with anisotropic exchange interactions are derived by means of the superexchange theory and the calculated Dzyaloshinskii-Moriya interactions in the systems with Sn and Pb adatoms are revealed to be very strong and compatible with the isotropic exchange couplings. To simulate the excited magnetic states we solve the constructed spin models by means of the Monte Carlo method, where at low temperatures and zero magnetic field we observe complex spin spiral patterns in Sn/Si(111) and Pb/Si(111). On this basis the formation of antiferromagnetic skyrmion lattice states at high magnetic fields in the adatom sp electron systems is discussed.