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.

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

The n- and p-type thermoelectricity property of GeTe by first-principles study

2019 ◽  
Vol 810 ◽  
pp. 151838 ◽  
Author(s):  
Donglin Guo ◽  
Chunhong Li ◽  
Kebin Qiu ◽  
Qiqi Yang ◽  
Kejian Li ◽  
...  
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
P Type

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

First-principles study of C60 and C60F36 as transfer dopants for p-type diamond

2005 ◽  
Vol 17 (2) ◽  
pp. L21-L26 ◽  
Author(s):  
S J Sque ◽  
R Jones ◽  
J P Goss ◽  
P R Briddon ◽  
S Öberg
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
P Type
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