Heterostructural phase diagram of Ga2O3–based solid solution with Al2O3. Issue 1 (January 2021)

• Record Type: Journal Article
• Authors: Kim, Hyeon Woo; Ko, Hyunseok; Chung, Yong-Chae; Cho, Sung Beom
• Is Part Of: Journal of the European Ceramic Society. Volume 41:Issue 1(2021)
• Page Start: 611
• Page End: 616
• Publication Date: 2021-01
• Subjects: Ultra-wide bandgap -- Solid solution -- Ga2O3 -- Heterostructural alloy -- First-principles calculation; Ceramic materials -- Periodicals; Composite materials -- Periodicals; Matériaux céramiques -- Périodiques; Composites -- Périodiques; Ceramic materials; Composite materials; Periodicals; Electronic journals; 666.05
• DOI: 10.1016/j.jeurceramsoc.2020.08.067
• Languages: English
• ISSNs: 0955-2219

Abstract

Abstract: Ga2 O3, 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 heterostructural nature and rich polymorphs. Here, we identified the thermodynamic phase diagram of heterostructural (Alx Ga1-x )2 O3 alloy. Using density-functional theory (DFT) calculations and regular solution model, we calculated the Gibbs-free energy of mixing of heterostructural polymorphs. Based on the calculation, we show the phase diagram of (Alx Ga1-x )2 O3 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 Ga2 O3 power electronics.