scholarly journals Spin–Orbit Interaction Effects in the Electronic Structure of B20-Type CoSi: First-Principles Density Functional Study

2014 ◽  
Author(s):  
Fumiyuki Ishii ◽  
Hiroki Kotaka ◽  
Takashi Onishi
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Density Functional ◽  
Interaction Effects ◽  
Orbit Interaction ◽  
Functional Study ◽  
Spin Orbit ◽  
Density Functional Study ◽  
Spin Orbit Interaction

Spin-orbit interaction effects on the electronic structure of coaxial quantum well wires

2017 ◽  
Vol 101 ◽  
pp. 397-404 ◽  
Author(s):  
A. Ghafari ◽  
B. Vaseghi ◽  
G. Rezaei ◽  
S.F. Taghizadeh ◽  
M.J. Karimi
Keyword(s):  
Electronic Structure ◽  
Quantum Well ◽  
Interaction Effects ◽  
Orbit Interaction ◽  
Spin Orbit ◽  
Spin Orbit Interaction ◽  
Quantum Well Wires

Tuning electronic structure of BaTiO3 for enhanced photocatalytic performance using cation-anion codoping: A first-principles study

2021 ◽  
Author(s):  
Yumeng Fo ◽  
Yanxia Ma ◽  
Hao Dong ◽  
Xin Zhou
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Electronic Structures ◽  
Density Functional ◽  
Photocatalytic Performance ◽  
Functional Study ◽  
Density Functional Study ◽  
First Principles Study ◽  
Hybrid Density Functional

Codoping with cation and anion is found to be an effective approach to tailor the electronic structures of semiconductor-based photocatalysts. In this work, a systematic hybrid density functional study has...

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