scholarly journals Calculating the transport properties of magnetic materials from first principles including thermal and alloy disorder, noncollinearity, and spin-orbit coupling

2018 ◽  
Vol 97 (21) ◽  
Author(s):  
Anton A. Starikov ◽  
Yi Liu ◽  
Zhe Yuan ◽  
Paul J. Kelly
Keyword(s):  
Transport Properties ◽  
Magnetic Materials ◽  
First Principles ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Alloy Disorder

scholarly journals Heisenberg and anisotropic exchange interactions in magnetic materials with correlated electronic structure and significant spin-orbit coupling

2021 ◽  
Vol 103 (17) ◽  
Author(s):  
Vladislav Borisov ◽  
Yaroslav O. Kvashnin ◽  
Nikolaos Ntallis ◽  
Danny Thonig ◽  
Patrik Thunström ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Magnetic Materials ◽  
Exchange Interactions ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Anisotropic Exchange

scholarly journals Spin-Orbit Coupling Effects on Transport Properties of Electronic Lieb Lattice in the Presence of Magnetic Field

2021 ◽  
Author(s):  
Elham Sadeghi ◽  
Hamed Rezania
Keyword(s):  
Magnetic Field ◽  
Thermal Conductivity ◽  
Seebeck Coefficient ◽  
Temperature Dependence ◽  
Transport Properties ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Lieb Lattice ◽  
Thermal Conductivities

Abstract In this paper, the transport properties of a two-dimensional Lieb lattice that is a line-centered square lattice are investigated in the presence of magnetic field and spin-orbit coupling. Specially, we address the temperature dependence of electrical and thermal conductivities as well as Seebeck coefficient due to spin-orbit interaction. We have exploited Green’s function approach in order to study thermoelectric and transport properties of Lieb lattice in the context of Kane-Mele model Hamiltonian. The results for Seebeck coefficient show the sign of thermopower is positive in the presence of spin-orbit coupling. Also the temperature dependence of transport properties indicates that the increase of spin-orbit coupling leads to decrease thermal conductivity however the decrease of gap 1 parameter causes the reduction of thermal conductivity. There is a peak in temperature dependence of thermal conductivity for all values of magnetic fields and spin-orbit coupling strengths. Both electrical and thermal conductivities increase with increasing the temperature at low amounts of temperature due to the increasing of transition rate of charge carriers and excitation of them to the conduction bands. Also we have studied the temperature dependence of spin susceptibility of Lieb monolayer due to both spin orbit coupling and magnetic field factors in details.

First-principles investigations on the Berry phase effect in spin–orbit coupling materials

2016 ◽  
Vol 112 ◽  
pp. 428-447 ◽  
Author(s):  
Wanxiang Feng ◽  
Cheng-Cheng Liu ◽  
Gui-Bin Liu ◽  
Jin-Jian Zhou ◽  
Yugui Yao
Keyword(s):  
First Principles ◽  
Berry Phase ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Phase Effect

scholarly journals Band-structure topologies of graphene: Spin-orbit coupling effects from first principles

2009 ◽  
Vol 80 (23) ◽  
Author(s):  
M. Gmitra ◽  
S. Konschuh ◽  
C. Ertler ◽  
C. Ambrosch-Draxl ◽  
J. Fabian
Keyword(s):  
Band Structure ◽  
First Principles ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Effects

scholarly journals First-principles Dzyaloshinskii–Moriya interaction in a non-collinear framework

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
R. Cardias ◽  
A. Szilva ◽  
M. M. Bezerra-Neto ◽  
M. S. Ribeiro ◽  
A. Bergman ◽  
...  
Keyword(s):  
First Principles ◽  
Real Space ◽  
Orbit Coupling ◽  
Magnetic Configuration ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Atomic Sphere ◽  
Sphere Approximation ◽  
Atomic Sphere Approximation ◽  
Moriya Interaction

AbstractWe have derived an expression of the Dzyaloshinskii–Moriya interaction (DMI), where all the three components of the DMI vector can be calculated independently, for a general, non-collinear magnetic configuration. The formalism is implemented in a real space—linear muffin-tin orbital—atomic sphere approximation (RS-LMTO-ASA) method. We have chosen the Cr triangular trimer on Au(111) and Mn triangular trimers on Ag(111) and Au(111) surfaces as numerical examples. The results show that the DMI (module and direction) is drastically different between collinear and non-collinear states. Based on the relation between the spin and charge currents flowing in the system and their coupling to the non-collinear magnetic configuration of the triangular trimer, we demonstrate that the DMI interaction can be significant, even in the absence of spin-orbit coupling. This is shown to emanate from the non-collinear magnetic structure, that can induce significant spin and charge currents even with spin-orbit coupling is ignored.

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