scholarly journals Valence band offsets at zinc-blende heterointerfaces with misfit dislocations: A first-principles study

2013 ◽  
Vol 88 (7) ◽  
Author(s):  
Yoyo Hinuma ◽  
Fumiyasu Oba ◽  
Isao Tanaka
Keyword(s):  
Valence Band ◽  
First Principles ◽  
Misfit Dislocations ◽  
Band Offsets ◽  
First Principles Study ◽  
Zinc Blende

Effects of Substrate Orientation on the Valence Band Splittings and Valence Band Offsets in GaN and AlN Films

1997 ◽  
Vol 482 ◽  
Author(s):  
J. A. Majewski ◽  
M. Städele
Keyword(s):  
Valence Band ◽  
Conduction Band ◽  
First Principles ◽  
Stacking Fault ◽  
Type I ◽  
Band Offsets ◽  
Substrate Orientation ◽  
First Principles Study

AbstractWe present a first-principles study of heteroepitaxial interfaces between GaN and both cubic as well as wurtzite AlN substrates oriented along main cubic or hexagonal directions and of stacking fault interfaces between cubic and wurtzite GaN. Our calculations show that all studied heterostructures are of type I. Valence band offsets for GaN/AlN are nearly independent of the substrate orientation and of the order of 0.8 eV. The valence and conduction band offsets for a stacking fault interface are predicted to be 40 meV and 175 meV, respectively.

scholarly journals Defects and Dopants in Zinc Blende Aluminum Arsenide: A First-Principles Study

2021 ◽  
Author(s):  
Jiangming Cao ◽  
Menglin Huang ◽  
Dingrong Liu ◽  
Zenghua Cai ◽  
Yu-Ning Wu ◽  
...  
Keyword(s):  
First Principles ◽  
Aluminum Arsenide ◽  
First Principles Study ◽  
Zinc Blende

First-principles study of high-pressure phonon dispersions of wurtzite, zinc-blende, and rocksalt AlN

2008 ◽  
Vol 103 (1) ◽  
pp. 013506 ◽  
Author(s):  
S. Saib ◽  
N. Bouarissa ◽  
P. Rodríguez-Hernández ◽  
A. Muñoz
Keyword(s):  
High Pressure ◽  
First Principles ◽  
First Principles Study ◽  
Zinc Blende

First-principles study of size-, surface- and mechanical strain-dependent electronic properties of wurtzite and zinc-blende InSb nanowires

2016 ◽  
Vol 380 (34) ◽  
pp. 2678-2684 ◽  
Author(s):  
Yong Zhang ◽  
Zhong-Xiang Xie ◽  
Xia Yu ◽  
Hai-Bin Wang ◽  
Yuan-Xiang Deng ◽  
...  
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Mechanical Strain ◽  
First Principles Study ◽  
Zinc Blende ◽  
Strain Dependent ◽  
Insb Nanowires

scholarly journals Electronic and Magnetic Properties of Ni-Doped Zinc-Blende ZnO: A First-Principles Study

Nanomaterials ◽  
2018 ◽  
Vol 8 (5) ◽  
pp. 281 ◽  
Author(s):  
Suqin Xue ◽  
Fuchun Zhang ◽  
Shuili Zhang ◽  
Xiaoyang Wang ◽  
Tingting Shao
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Electronic And Magnetic Properties ◽  
First Principles Study ◽  
Zinc Blende

Spin-polarized first-principles study of ferromagnetism in zinc-blende In1−xMnxSb

2011 ◽  
Vol 81 (4) ◽  
pp. 381-386 ◽  
Author(s):  
U. P. Verma ◽  
N. Devi ◽  
S. Sharma ◽  
P. Jensen
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
Zinc Blende ◽  
Spin Polarized

Electronic Structure and Optical Properties of Zinc-Blende In x Ga 1− x N y As 1−y by a First-Principles Study

2011 ◽  
Vol 55 (4) ◽  
pp. 693-701 ◽  
Author(s):  
Yue Shen ◽  
Peng-Fei Lu ◽  
Zhong-Yuan Yu ◽  
Long Zhao ◽  
Han Ye ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
First Principles ◽  
First Principles Study ◽  
Zinc Blende
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