Effects and mechanism of (Be/Mg/Ca) doping and point defects (VZn, Hi) on the p-type conductivity of ZnO: A first-principles study

2022 ◽  
pp. 114653
Author(s):  
Mude Qi ◽  
Qingyu Hou ◽  
Yong Li ◽  
Yulan Gu ◽  
Airong Yang
Keyword(s):  
Point Defects ◽  
First Principles ◽  
Type Conductivity ◽  
Ca Doping ◽  
First Principles Study ◽  
P Type

Understanding the high p-type conductivity in Cu-excess CuAlS2: A first-principles study

2016 ◽  
Vol 9 (3) ◽  
pp. 031202 ◽  
Author(s):  
Dan Huang ◽  
Yujun Zhao ◽  
Wenjuan Tang ◽  
Xianqing Liang ◽  
Wenzheng Zhou ◽  
...  
Keyword(s):  
First Principles ◽  
Type Conductivity ◽  
First Principles Study ◽  
P Type

DEFECT PHYSICS AND INTRINSIC p-TYPE CONDUCTIVITY IN TOPOLOGICAL INSULATOR AuTlS2

2014 ◽  
Vol 28 (02) ◽  
pp. 1450008 ◽  
Author(s):  
JIAN-MIN ZHANG ◽  
WANGXIANG FENG ◽  
PEI YANG ◽  
LIJIE SHI ◽  
YING ZHANG
Keyword(s):  
Point Defects ◽  
Topological Insulator ◽  
First Principles ◽  
Optimal Growth ◽  
Growth Conditions ◽  
First Principles Calculations ◽  
Type Conductivity ◽  
Native Point Defects ◽  
P Type ◽  
Optimal Growth Condition

Using first-principles calculations, we systematically investigate the defect physics in topological insulator AuTlS 2. An optimal growth condition is explicitly proposed to guide for the experimental synthesis. The stabilities of various native point defects under different growth conditions and different carrier environments are studied in detail. We show that the p-type conductivity is strongly preferred in AuTlS 2, and the band gap can be engineered by the control of intrinsic defects. Our results demonstrate that AuTlS 2 is an ideal p-type topological insulator which can be easily integrated with traditional semiconductor.

Pushing p-type conductivity in ZnO by (Zr, N) codoping: A first-principles study

2008 ◽  
Vol 147 (5-6) ◽  
pp. 194-197 ◽  
Author(s):  
Xin-Ying Duan ◽  
Yu-Jun Zhao ◽  
Ruo-He Yao
Keyword(s):  
First Principles ◽  
Type Conductivity ◽  
First Principles Study ◽  
P Type

First-principles study of p-type conductivity of N-Al/Ga/In co-doped ZnO

2015 ◽  
Vol 90 (2) ◽  
pp. 025803 ◽  
Author(s):  
Li Honglin ◽  
Lv Yingbo ◽  
Li Jinzhu ◽  
Yu Ke
Keyword(s):  
First Principles ◽  
Type Conductivity ◽  
First Principles Study ◽  
Doped Zno ◽  
P Type ◽  
Co Doped

scholarly journals A first principles study of p-type defects in LaCrO3

2017 ◽  
Vol 19 (34) ◽  
pp. 22870-22876 ◽  
Author(s):  
Samira Dabaghmanesh ◽  
Nasrin Sarmadian ◽  
Erik C. Neyts ◽  
Bart Partoens
Keyword(s):  
Structural Properties ◽  
Point Defects ◽  
First Principles ◽  
First Principles Calculations ◽  
First Principles Study ◽  
P Type ◽  
Electronic And Structural Properties

The electronic and structural properties of various point defects in LaCrO3 have been investigated using first principles calculations.

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