First-principles study on the effects of the intrinsic defects in GaAs saturable absorber

2014 ◽  
Author(s):  
Xiaoyang Ma ◽  
Dechun Li ◽  
Shengzhi Zhao ◽  
Wen Cong ◽  
Guiqiu Li ◽  
...  
Keyword(s):  
Saturable Absorber ◽  
First Principles ◽  
Intrinsic Defects ◽  
First Principles Study

scholarly journals Preferred diffusional pathways of intrinsic defects and silicon dopants in an ordered phase of In0.5Ga0.5As: A first-principles study

2017 ◽  
Vol 140 ◽  
pp. 39-45 ◽  
Author(s):  
Mardochee Reveil ◽  
Jingyang Wang ◽  
Michael O. Thompson ◽  
Paulette Clancy
Keyword(s):  
First Principles ◽  
Intrinsic Defects ◽  
First Principles Study

First-principles study of electronic and diffusion properties of intrinsic defects in 4H-SiC

2020 ◽  
Vol 127 (8) ◽  
pp. 085702 ◽  
Author(s):  
Xiaolan Yan ◽  
Pei Li ◽  
Lei Kang ◽  
Su-Huai Wei ◽  
Bing Huang
Keyword(s):  
First Principles ◽  
Intrinsic Defects ◽  
First Principles Study ◽  
And Diffusion ◽  
Diffusion Properties

A first-principles study on magnetic properties of the intrinsic defects in wurtzite ZnO

2019 ◽  
Vol 150 (9) ◽  
pp. 094704 ◽  
Author(s):  
Q. L. Lin ◽  
G. P. Li ◽  
N. N. Xu ◽  
H. Liu ◽  
D. J. E ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Intrinsic Defects ◽  
First Principles Study

scholarly journals First-Principles Study of Intrinsic Defects on Bulk SrTiO3

2015 ◽  
Vol 27 (11) ◽  
pp. 4232-4234
Author(s):  
Xiaoqiu Wang ◽  
Baoling Wang ◽  
Qinfang Zhang
Keyword(s):  
First Principles ◽  
Intrinsic Defects ◽  
First Principles Study

scholarly journals First-principles study on intrinsic defects of SnSe

RSC Advances ◽  
2017 ◽  
Vol 7 (44) ◽  
pp. 27612-27618 ◽  
Author(s):  
Yucheng Huang ◽  
Chan Wang ◽  
Xi Chen ◽  
Danmei Zhou ◽  
Jinyan Du ◽  
...  
Keyword(s):  
First Principles ◽  
Intrinsic Defects ◽  
First Principles Study ◽  
P Type ◽  
Type Conduction ◽  
Effective Source

Sn vacancies can work as an effective source for p-type conduction under both Sn- and Se-rich conditions while n-type conduction is unlikely to be realized due to the absence of the effective intrinsic source.

Intrinsic defects in yttrium iron garnet: A first-principles study

2020 ◽  
Vol 128 (18) ◽  
pp. 183904
Author(s):  
ShiJie Tan ◽  
Wei Zhang ◽  
Lu Yang ◽  
Jinsong Chen ◽  
Zhiguo Wang
Keyword(s):  
First Principles ◽  
Yttrium Iron Garnet ◽  
Yttrium Iron ◽  
Intrinsic Defects ◽  
First Principles Study ◽  
Iron Garnet

First-principles study of intrinsic defects in formamidinium lead triiodide perovskite solar cell absorbers

2018 ◽  
Vol 20 (10) ◽  
pp. 6800-6804 ◽  
Author(s):  
Na Liu ◽  
ChiYung Yam
Keyword(s):  
Solar Cell ◽  
Band Gap ◽  
First Principles ◽  
Perovskite Solar Cell ◽  
Deep Levels ◽  
First Principles Calculations ◽  
Intrinsic Defects ◽  
First Principles Study ◽  
Recombination Centers

Based on first-principles calculations, the intrinsic defects in FAPbI3 are investigated systematically. It is found that antisites FAI and IFA create deep levels in the band gap which can act as recombination centers.

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