scholarly journals Spin-orbit coupling effects on predicting defect properties with hybrid functionals: A case study in CdTe

2018 ◽  
Vol 98 (5) ◽  
Author(s):  
Jie Pan ◽  
Wyatt K. Metzger ◽  
Stephan Lany
Keyword(s):  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Effects ◽  
Hybrid Functionals

Laser cooling of copper monofluoride: a theoretical study including spin–orbit coupling

RSC Advances ◽  
2016 ◽  
Vol 6 (102) ◽  
pp. 100568-100576 ◽  
Author(s):  
Mingkai Fu ◽  
Jianwei Cao ◽  
Haitao Ma ◽  
Wensheng Bian
Keyword(s):  
Laser Cooling ◽  
Theoretical Study ◽  
Branching Ratios ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Effects ◽  
Radiative Lifetimes

A laser cooling scheme is proposed for CuF by including the spin–orbit coupling effects, and based on our calculated radiative lifetimes and vibrational branching ratios.

scholarly journals Spin-orbit coupling effects in zinc-blende InSb and wurtzite InAs nanowires: Realistic calculations with multiband k·p method

2018 ◽  
Vol 97 (24) ◽  
Author(s):  
Tiago Campos ◽  
Paulo E. Faria Junior ◽  
Martin Gmitra ◽  
Guilherme M. Sipahi ◽  
Jaroslav Fabian
Keyword(s):  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Effects ◽  
Zinc Blende ◽  
Inas Nanowires

scholarly journals Dioxygen insertion into the gold(i)–hydride bond: spin orbit coupling effects in the spotlight for oxidative addition

2016 ◽  
Vol 7 (12) ◽  
pp. 7034-7039 ◽  
Author(s):  
Carlo Alberto Gaggioli ◽  
Leonardo Belpassi ◽  
Francesco Tarantelli ◽  
Daniele Zuccaccia ◽  
Jeremy N. Harvey ◽  
...  
Keyword(s):  
Oxidative Addition ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Effects ◽  
Recombination Mechanism

O2 insertion into a Au(i)–H bond occurs through an oxidative addition/recombination mechanism that can only be described accurately by inclusion of spin orbit coupling (SOC) effects.

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
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