Structure and gap of low-$x$ (Ga$_{1-x}$In$_x$)$_2$O$_3$ alloys

M B Maccioni; F Ricci; V Fiorentini

doi:10.1088/1742-6596/566/1/012016

paper

Structure and gap of low- $x$ (Ga $_{1 - x}$ In $_{x}$ ) $_{2}$ O $_{3}$ alloys

arXiv:1408.6951 · doi:10.1088/1742-6596/566/1/012016

Abstract

We study the electronic and local structural properties of pure and In-substituted $β$ -Ga $_{2}$ O $_{3}$ using density functional theory (DFT). Our main result is that the structural energetics of In in Ga $_{2}$ O $_{3}$ causes most sites to be essentially inaccessible to In substitution, thus reducing the maximum In content in thi to somewhere between 12 and 25 \% in this phase. We also find that the gap variation with doping is essentially due to "chemical pressure", i.e. volume variations with doping.

4 pages, 3 figures

Cited by in corpus (1)

Low In solubility and band offsets in the small- $x$ $β$ -Ga $_{2}$ O $_{3}$ /(Ga $_{1 - x}$ In $_{x}$ ) $_{2}$ O $_{3}$ system

Structure and gap of low-x (Ga1−x​Inx​)2​O3​ alloys

Abstract

Cited by in corpus (1)

Structure and gap of low- $x$ (Ga $_{1 - x}$ In $_{x}$ ) $_{2}$ O $_{3}$ alloys