Heterostructural phase diagram of Ga2O3 based solid solution with Al2O3

被引：24

作者：

Kim, Hyeon Woo ^{[1
,2
]}

Ko, Hyunseok ^{[1
]}

Chung, Yong-Chae ^{[2
]}

Cho, Sung Beom ^{[1
]}

机构：

[1] Korea Inst Ceram Engn & Technol KICET, Convergence Technol Div, Jinju Si 52851, Gyeongsangnam D, South Korea

[2] Hanyang Univ, Div Mat Sci & Engn, Seoul 04763, South Korea

来源：

JOURNAL OF THE EUROPEAN CERAMIC SOCIETY | 2021年 / 41卷 / 01期

基金：

新加坡国家研究基金会;

关键词：

Ultra-wide bandgap; Solid solution; Ga2O3; Heterostructural alloy; First-principles calculation; BETA-GA2O3; SINGLE-CRYSTALS; FILMS;

D O I：

10.1016/j.jeurceramsoc.2020.08.067

中图分类号：

TQ174 [陶瓷工业]; TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Ga2O3, which is emerging as semiconductor material due to the ultra-wide bandgap, has tunability in bandgap and lattice constant by alloying Al. However, successful control of alloying phase is still challenging due to its hetemstructural nature and rich polymorphs. Here, we identified the thermodynamic phase diagram of heterostructural (AlxGa1-x)(2)O-3 alloy. Using density-functional theory (DFT) calculations and regular solution model, we calculated the Gibbs-free energy of mixing of hetemstructural polymorphs. Based on the calculation, we show the phase diagram of (AlxGa1-x)(2)O-3 alloy system with a markedly increased metastability than the isostructural alloy, which can make a vast phase space for homogeneous single-phase alloys. We also investigated the correlation between the bandgap and lattice constant within these systems using hybrid DFT calculations, which can guide the device design of Ga2O3 power electronics.

引用

页码：611 / 616

页数：6

共 43 条

[1] Demonstration of β-(AlxGa1-x)2O3/β-Ga2O3 modulation doped field-effect transistors with Ge as dopant grown via plasma-assisted molecular beam epitaxy [J].