Electronic structure and phonons in La2CoMnO6: A ferromagnetic insulator driven by Coulomb-assisted spin-orbit coupling

2011 ◽  
Vol 84 (3) ◽  
Author(s):  
Santu Baidya ◽  
T. Saha-Dasgupta
Keyword(s):  
Electronic Structure ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit

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 Absence of the Rashba Splitting of Au(111) Surface Bands

2018 ◽  
Vol 2018 ◽  
pp. 1-5
Author(s):  
I. N. Yakovkin
Keyword(s):  
Electronic Structure ◽  
Dft Calculations ◽  
Surface States ◽  
Orbit Coupling ◽  
Spin Splitting ◽  
Inversion Symmetry ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Relativistic Approximation ◽  
Photoemission Experiment

The electronic structure of Au(111) films is studied by means of relativistic DFT calculations. It is found that the twinning of the surface bands, observed in photoemission experiment, does not necessarily correspond to the spin-splitting of the surface states caused by the break of the inversion symmetry at the surface. The twinning of the bands of clean Au(111) films can be obtained within nonrelativistic or scalar-relativistic approximation, so that it is not a result of spin-orbit coupling. However, the spin-orbit coupling does not lead to the spin-splitting of the surface bands. This result is explained by Kramers’ degeneracy, which means that the existence of a surface itself does not destroy the inversion symmetry of the system. The inversion symmetry of the Au(111) film can be broken, for example, by means of adsorption, and a hydrogen monolayer deposited on one face of the film indeed leads to the appearance of the spin-splitting of the bands.

The role of spin-orbit coupling in the electronic structure of iron-based superconductors (Phys. Status Solidi B 1/2017)

2017 ◽  
Vol 254 (1) ◽  
Author(s):  
Sergey Borisenko ◽  
Daniil Evtushinsky ◽  
Zhonghao Liu ◽  
Igor Morozov ◽  
Rhea Kappenberger ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Iron Based Superconductors ◽  
Iron Based

scholarly journals The Influence of Electronic Structure Modelling and Junction Structure on First-Principles Chiral Induced Spin Selectivity

2020 ◽  
Author(s):  
Martin Sebastian Zöllner ◽  
Vladimiro Mujica ◽  
Carmen Herrmann
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Density Functional ◽  
Orbit Coupling ◽  
First Principles Calculation ◽  
Physical Parameters ◽  
Theory Approach ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Junction Structure

<br>We have carried out a comprehensive study of the influence of electronic structure modeling and junction structure description on the first-principles calculation of the spin polarization in molecular junctions caused by the chiral induced spin selectivity (CISS) effect. We explore the limits and the sensitivity to modelling decisions of a Landauer / Green’s function / density functional theory approach to CISS. We find that although the CISS effect is entirely attributed in the literature to molecular spin filtering, spin-orbit coupling being partially inherited from the metal electrodes plays an important role in our calculations, even though this effect cannot explain the experi- mental conductance results. Also, an important dependence on the specific description of exchange interaction and spin–orbit coupling is manifest in our approach. This is important because the interplay between exchange effects and spin-orbit coupling may play an important role in the description of the junction magnetic response. Our calculations are relevant for the whole field of spin-polarized electron transport and electron transfer because there is still an open discussion in the literature about the detailed underlying mechanism and the magnitude of relevant physical parameters that need to be included to achieve a consistent description of the CISS effect<br>

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