scholarly journals Hydrogen inserted into the Si(100)-2 × 1-H surface: a first-principles study

2020 ◽  
Vol 22 (38) ◽  
pp. 21851-21857
Author(s):  
Tatiana V. Pavlova
Keyword(s):  
First Principles ◽  
Defect Complex ◽  
Charged Defect ◽  
First Principles Study

Hydrogen inserted into Si(100)-2 × 1 can lead to the formation of a positively or negatively charged defect complex.

Ideal half-filled intermediate band position in CuGaS2 generated by Sb-related defect complex: a first-principles study

2019 ◽  
Vol 12 (2) ◽  
pp. 021002 ◽  
Author(s):  
Dan Huang ◽  
Yang Xue ◽  
Wentong Zhou ◽  
Jingwen Jiang ◽  
Hua Ning ◽  
...  
Keyword(s):  
First Principles ◽  
Defect Complex ◽  
Intermediate Band ◽  
First Principles Study ◽  
Band Position ◽  
Related Defect

Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

2020 ◽  
Vol 22 (36) ◽  
pp. 20914-20921 ◽  
Author(s):  
Rajmohan Muthaiah ◽  
Jivtesh Garg
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
High Thermal Conductivity ◽  
Biaxial Strain ◽  
Length Scales ◽  
First Principles Study ◽  
Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

First-principles study of two-dimensional bilayer GaN: structure, electronic properties and temperature effect

2019 ◽  
Vol 58 (SC) ◽  
pp. SCCB35 ◽  
Author(s):  
Tomoe Yayama ◽  
Anh Khoa Augustin Lu ◽  
Tetsuya Morishita ◽  
Takeshi Nakanishi
Keyword(s):  
Temperature Effect ◽  
Electronic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Study
Sign in / Sign up

Export Citation Format

Share Document