Absence of Oxygen-Vacancy-Related Deep Levels in the Amorphous Mixed Oxide (Al2O3)1−x(SiO2)x : First-Principles Exploration of Gate Oxides in GaN -Based Power Devices

2020 ◽  
Vol 14 (1) ◽  
Author(s):  
Kenta Chokawa ◽  
Tetsuo Narita ◽  
Daigo Kikuta ◽  
Koji Shiozaki ◽  
Tetsu Kachi ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Mixed Oxide ◽  
First Principles ◽  
Deep Levels ◽  
Power Devices ◽  
Gate Oxides

First principles analysis of oxygen vacancy formation and migration in Sr2BMoO6 (B = Mg, Co, Ni)

RSC Advances ◽  
2016 ◽  
Vol 6 (38) ◽  
pp. 31968-31975 ◽  
Author(s):  
Shuai Zhao ◽  
Liguo Gao ◽  
Chunfeng Lan ◽  
Shyam S. Pandey ◽  
Shuzi Hayase ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Oxygen Vacancy ◽  
First Principles ◽  
Density Functional ◽  
Dft Method ◽  
Double Perovskites ◽  
Functional Theory ◽  
Oxygen Vacancy Formation ◽  
The Density Functional Theory ◽  
And Migration

In this work, we present a detailed first-principles investigation on the stoichiometric and oxygen-deficient structures of double perovskites, Sr2BMoO6 (B = Mg, Co and Ni), using the density functional theory (DFT) method.

Oxygen vacancy in LiTiPO5 and LiTi2(PO4)3: A first-principles study

2011 ◽  
Vol 375 (5) ◽  
pp. 934-938 ◽  
Author(s):  
Li-Juan Chen ◽  
Yu-Jun Zhao ◽  
Jia-Yan Luo ◽  
Yong-Yao Xia
Keyword(s):  
Oxygen Vacancy ◽  
First Principles ◽  
First Principles Study

scholarly journals Oxygen Vacancy Induced Magnetism in Anti-Perovskite Topological Dirac Semimetal Ba3SnO

2021 ◽  
Author(s):  
Javaria Batool ◽  
Syed Muhammad Alay-e-Abbas ◽  
Gustav Johansson ◽  
Waqas Zulfiqar ◽  
Muhammad Arsam Danish ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Oxygen Vacancy ◽  
Electronic Properties ◽  
Thermodynamic Stability ◽  
First Principles ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Vacancy Defect ◽  
Functional Theory ◽  
Dirac Semimetal

The thermodynamic, structural, magnetic and electronic properties of pristine and intrinsic vacancy defect containing topological Dirac semimetal Ba3SnO are studied using first-principles density functional theory calculations. The thermodynamic stability of...

scholarly journals Oxygen vacancy formation in the SrTiO3 Σ5 [001] twist grain boundary from first-principles

2018 ◽  
Vol 101 (7) ◽  
pp. 3118-3129 ◽  
Author(s):  
Maziar Behtash ◽  
Yaqin Wang ◽  
Jian Luo ◽  
Kesong Yang
Keyword(s):  
Oxygen Vacancy ◽  
Grain Boundary ◽  
First Principles ◽  
Vacancy Formation ◽  
Oxygen Vacancy Formation

First-principles calculations of oxygen vacancy in CaO crystal

2020 ◽  
Vol 74 (10) ◽  
Author(s):  
Kaili Wu ◽  
Tingyu Liu ◽  
Ruxi Sun ◽  
Jiamei Song ◽  
Chunyu Shi
Keyword(s):  
Oxygen Vacancy ◽  
First Principles ◽  
First Principles Calculations
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