An improved density functional theory description of the Ge(100)c(4×2) surface using the MBJLDA xc potential and spin–orbit interactions

2013 ◽  
Vol 25 (5) ◽  
pp. 056007 ◽  
Author(s):  
Phillip V Smith ◽  
Marian W Radny ◽  
G Ali Shah
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Spin Orbit ◽  
Functional Theory ◽  
Spin Orbit Interactions

Spin–orbit coupling in nearly metallic chiral carbon nanotubes: a density-functional based study

2017 ◽  
Vol 19 (13) ◽  
pp. 8848-8853 ◽  
Author(s):  
Volodymyr V. Maslyuk ◽  
Rafael Gutierrez ◽  
Gianaurelio Cuniberti
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Valence Orbital ◽  
Full System ◽  
Functional Theory ◽  
Chiral Carbon ◽  
Spin Orbit Interactions ◽  
Theory Framework

An accurate implementation of spin–orbit interactions in a density-functional theory framework is presented, including both core and valence orbital contributions, thus encompassing the full system potential.

scholarly journals Spin–orbit coupling effect on electronic, optical, and thermoelectric properties of Janus Ga2SSe

RSC Advances ◽  
2020 ◽  
Vol 10 (73) ◽  
pp. 44785-44792
Author(s):  
Hong T. T. Nguyen ◽  
Vo T. T. Vi ◽  
Tuan V. Vu ◽  
Nguyen V. Hieu ◽  
Dung V. Lu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Thermoelectric Properties ◽  
Density Functional ◽  
Coupling Effect ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Functional Theory

In this paper, we investigate the electronic, optical, and thermoelectric properties of Ga2SSe monolayer by using density functional theory.

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