Work

Quantitative modeling of point defects in β-Ga 2 O 3 combining hybrid functional energetics with semiconductor and processes thermodynamics

Year: 2025

Type: article

Abstract: Incorporating temperature-dependent bandgap, chemical potentials from thermochemistry & vibrational entropy into DFT defect modeling yields realistic quantitative predictions for defect concentrations in bulk-grown β-Ga 2 O 3 .

Source: Physical Chemistry Chemical Physics

DOI: 10.1039/d4cp04817b

Authors: K. A. Arnab, M. Stephens, I. Maxfield, C. Lee, E. Ertekin, Y. K. Frodason, J. B. Varley, M. A. Scarpulla

Institutions: University of Utah, University of Illinois Urbana-Champaign, University of Oslo, Lawrence Livermore National Laboratory

Language: English

Topic: Ga2O3 and related materials

Subfield: Electronic, Optical and Magnetic Materials

Field: Materials Science

Domain: Physical Sciences

Open Access status: hybrid

Funders: U.S. Department of Energy, Norges Forskningsråd, Office of Energy Efficiency and Renewable Energy, Multidisciplinary University Research Initiative, Laboratory Directed Research and Development, Office of Energy Efficiency, Air Force Office of Scientific Research, Lawrence Livermore National Laboratory

Awards: G1005833025, G1356433355, G14554683, G1525683791, G2145270357, G3084109318, G3678902929, G4744444288, G5393611085, G991281326

OpenAlex ID: W4410452610

FWCI: 2.569

Cites: 66

Cited by: 16

Related to: 10