Spontaneous polarization and band gap bowing in YxAl yGa1-x-yN alloys lattice-matched to GaN

Kazuhiro Shimada*, Atsuhito Zenpuku, Kazuya Fujiwara, Kouji Hazu, Shigefusa F. Chichibu, Masahiro Hata, Hiroyuki Sazawa, Tomoyuki Takada, Takayuki Sota

*この研究の対応する著者

研究成果: Article査読

7 被引用数 (Scopus)

抄録

First-principles calculations are carried out to estimate the spontaneous polarization and the energy band gap bowing in YxAl yGa1-x-yN alloys lattice-matched to GaN. The ground state properties of alloys are computed by using the pseudopotential-planewave method in conjunction with generalized gradient approximation to density functional theory. We find nonlinear behavior of the spontaneous polarization and the band gap energies in Y xAlyGa1-x-yN alloys and the values depend on the atomic geometry in the unit cell, especially on that of yttrium.

本文言語English
論文番号074114
ジャーナルJournal of Applied Physics
110
7
DOI
出版ステータスPublished - 2011 10 1

ASJC Scopus subject areas

  • 物理学および天文学(全般)

フィンガープリント

「Spontaneous polarization and band gap bowing in Y<sub>x</sub>Al <sub>y</sub>Ga<sub>1-x-y</sub>N alloys lattice-matched to GaN」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル