Biaxial strain effects on the electronic band structure of wurtzite In xGa 1-xN alloys using first-principles calculations

Bo Ting Liou, Bang Yenn Wu, Yen-Kuang Kuo

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Numerical simulation based on first-principles calculations is applied to study the energy band structural characteristics and the band-gap properties of wurtzite InGaN. The results show that the direct band gap, the band gap bowing parameter, the width of valence band, and the width of top valence band increase with compressive strain and decrease with tensile strain. The biaxial strain effect on the indirect band gap is little. In general, there is a larger band gap bowing parameter and larger strain-induced band gap bowing variation in Ga-rich alloys. In addition, the direct band gap, the indirect band gap, the width of valence band, and the width of top valence band decrease with increase of indium composition. Wurtzite InGaN remains the characteristic of a direct band gap material under biaxial stress.

Original languageEnglish
Title of host publicationPhysics and Simulation of Optoelectronic Devices XX
Volume8255
DOIs
Publication statusPublished - 2012 Apr 26
EventPhysics and Simulation of Optoelectronic Devices XX - San Francisco, CA, United States
Duration: 2012 Jan 232012 Jan 26

Other

OtherPhysics and Simulation of Optoelectronic Devices XX
CountryUnited States
CitySan Francisco, CA
Period12-01-2312-01-26

Fingerprint

First-principles Calculation
Biaxial
Band Structure
Electronic Structure
Band Gap
wurtzite
Band structure
Energy gap
electronics
Valence bands
Bending (forming)
InGaN
valence
Decrease
Indium
Large Strain
Tensile strain
Numerical Simulation
energy bands
indium

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Computer Science Applications
  • Applied Mathematics
  • Electrical and Electronic Engineering

Cite this

Liou, Bo Ting ; Wu, Bang Yenn ; Kuo, Yen-Kuang. / Biaxial strain effects on the electronic band structure of wurtzite In xGa 1-xN alloys using first-principles calculations. Physics and Simulation of Optoelectronic Devices XX. Vol. 8255 2012.
@inproceedings{85a3394da615451fb514e0316321886b,
title = "Biaxial strain effects on the electronic band structure of wurtzite In xGa 1-xN alloys using first-principles calculations",
abstract = "Numerical simulation based on first-principles calculations is applied to study the energy band structural characteristics and the band-gap properties of wurtzite InGaN. The results show that the direct band gap, the band gap bowing parameter, the width of valence band, and the width of top valence band increase with compressive strain and decrease with tensile strain. The biaxial strain effect on the indirect band gap is little. In general, there is a larger band gap bowing parameter and larger strain-induced band gap bowing variation in Ga-rich alloys. In addition, the direct band gap, the indirect band gap, the width of valence band, and the width of top valence band decrease with increase of indium composition. Wurtzite InGaN remains the characteristic of a direct band gap material under biaxial stress.",
author = "Liou, {Bo Ting} and Wu, {Bang Yenn} and Yen-Kuang Kuo",
year = "2012",
month = "4",
day = "26",
doi = "10.1117/12.907701",
language = "English",
isbn = "9780819488985",
volume = "8255",
booktitle = "Physics and Simulation of Optoelectronic Devices XX",

}

Liou, BT, Wu, BY & Kuo, Y-K 2012, Biaxial strain effects on the electronic band structure of wurtzite In xGa 1-xN alloys using first-principles calculations. in Physics and Simulation of Optoelectronic Devices XX. vol. 8255, 825520, Physics and Simulation of Optoelectronic Devices XX, San Francisco, CA, United States, 12-01-23. https://doi.org/10.1117/12.907701

Biaxial strain effects on the electronic band structure of wurtzite In xGa 1-xN alloys using first-principles calculations. / Liou, Bo Ting; Wu, Bang Yenn; Kuo, Yen-Kuang.

Physics and Simulation of Optoelectronic Devices XX. Vol. 8255 2012. 825520.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

TY - GEN

T1 - Biaxial strain effects on the electronic band structure of wurtzite In xGa 1-xN alloys using first-principles calculations

AU - Liou, Bo Ting

AU - Wu, Bang Yenn

AU - Kuo, Yen-Kuang

PY - 2012/4/26

Y1 - 2012/4/26

N2 - Numerical simulation based on first-principles calculations is applied to study the energy band structural characteristics and the band-gap properties of wurtzite InGaN. The results show that the direct band gap, the band gap bowing parameter, the width of valence band, and the width of top valence band increase with compressive strain and decrease with tensile strain. The biaxial strain effect on the indirect band gap is little. In general, there is a larger band gap bowing parameter and larger strain-induced band gap bowing variation in Ga-rich alloys. In addition, the direct band gap, the indirect band gap, the width of valence band, and the width of top valence band decrease with increase of indium composition. Wurtzite InGaN remains the characteristic of a direct band gap material under biaxial stress.

AB - Numerical simulation based on first-principles calculations is applied to study the energy band structural characteristics and the band-gap properties of wurtzite InGaN. The results show that the direct band gap, the band gap bowing parameter, the width of valence band, and the width of top valence band increase with compressive strain and decrease with tensile strain. The biaxial strain effect on the indirect band gap is little. In general, there is a larger band gap bowing parameter and larger strain-induced band gap bowing variation in Ga-rich alloys. In addition, the direct band gap, the indirect band gap, the width of valence band, and the width of top valence band decrease with increase of indium composition. Wurtzite InGaN remains the characteristic of a direct band gap material under biaxial stress.

UR - http://www.scopus.com/inward/record.url?scp=84860014266&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84860014266&partnerID=8YFLogxK

U2 - 10.1117/12.907701

DO - 10.1117/12.907701

M3 - Conference contribution

AN - SCOPUS:84860014266

SN - 9780819488985

VL - 8255

BT - Physics and Simulation of Optoelectronic Devices XX

ER -