Spin-orbit coupling and magnetic interactions in Si(111):\{C,Si,Sn,Pb\} / Badrtdinov D. I.,Nikolaev S. A.,Katsnelson M. I.,Mazurenko V. V. // PHYSICAL REVIEW B. - 2016. - V. 94, l. 22.

ISSN/EISSN:

2469-9950 / 2469-9969

Type:

Article

Abstract:

We study the magnetic properties of the adatom systems on a semiconductor surface Si(111):\{C,Si,Sn,Pb\}- root 3 x root 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 degrees-Neel (for C, Si, Sn monolayer coverages) and 120 degrees -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.

Author keywords:

ANISOTROPIC SUPEREXCHANGE INTERACTION; WEAK FERROMAGNETISM; WANNIER FUNCTIONS; ATOM LATTICE; SURFACE; STATE; PHASE

DOI:

10.1103/PhysRevB.94.224418

Web of Science ID:

ISI:000390249000004

Соавторы в МНС:

Другие поля

Поле	Значение
Month	DEC 19
Publisher	AMER PHYSICAL SOC
Address	ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
Language	English
Article-Number	224418
EISSN	2469-9969
Keywords-Plus	ANISOTROPIC SUPEREXCHANGE INTERACTION; WEAK FERROMAGNETISM; WANNIER FUNCTIONS; ATOM LATTICE; SURFACE; STATE; PHASE
Research-Areas	Physics
Web-of-Science-Categories	Physics, Condensed Matter
ResearcherID-Numbers	Mazurenko, Vladimir/P-9241-2017 Katsnelson, Mikhail/D-4359-2012 Badrtdinov, Danis/E-5990-2017
Funding-Acknowledgement	Ministry of Education and Science of the Russian Federation {[}16.1751.2014/K]; President of Russian Federation {[}MD-6458.2016.2]; ERC Advanced Grant {[}338957]
Funding-Text	We acknowledge fruitful discussions with Igor Solovyev. The work is supported by the Ministry of Education and Science of the Russian Federation, Project No. 16.1751.2014/K, and President of Russian Federation Grant No. MD-6458.2016.2. M.I.K. acknowledges support from the ERC Advanced Grant 338957 FEMTO/NANO.
Number-of-Cited-References	42
Usage-Count-Last-180-days	5
Usage-Count-Since-2013	17
Journal-ISO	Phys. Rev. B
Doc-Delivery-Number	EF3UC