Systematic first-principles study of the on-site spin-orbit coupling in crystals

2020 ◽  
Vol 102 (4) ◽  
Author(s):  
Kensuke Kurita ◽  
Takashi Koretsune
Keyword(s):  
First Principles ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
First Principles Study

A spin–orbit coupling-induced two-dimensional electron gas in BiAlO3/SrTiO3 heterostructures

2020 ◽  
Vol 22 (5) ◽  
pp. 3122-3127
Author(s):  
J. J. Pulikkotil
Keyword(s):  
First Principles ◽  
Electron Gas ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Two Dimensional ◽  
Dimensional Electron ◽  
Two Dimensional Electron Gas ◽  
First Principles Study ◽  
Dimensional Electron Gas

Both LaAlO3 and BiAlO3 are isostructural, isoelectronic and band insulators. Hence, first principles study using supercells are performed to determine the emergence of two-dimensional electron gas at the interface of BiAlO3/SrTiO3 heterostructures.

A first principles study of the spin–orbit coupling effect in LiM (M = Na, K, Rb, Cs) molecules

2020 ◽  
Vol 22 (4) ◽  
pp. 2295-2306 ◽  
Author(s):  
S. V. Kozlov ◽  
E. A. Bormotova ◽  
A. A. Medvedev ◽  
E. A. Pazyuk ◽  
A. V. Stolyarov ◽  
...  
Keyword(s):  
First Principles ◽  
Coupling Effect ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Scalar State ◽  
First Principles Study ◽  
Level Of Confidence ◽  
Experimental Level

Both fully relativistic and scalar-state based perturbation models provided the spin–orbit functions of the LiM (M = Na, K, Rb, Cs) molecules at almost experimental level of confidence.

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
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