First-Principles Investigations of Ga2O3 and Related Materials as Novel 2D Conductors
Abstract
Binary oxides can sustain extremely high doping levels and exhibit high mobilities. Ga2O3, with a band gap of 4.84 eV, is a highly promising but still relatively unexplored member of this family. The material can be produced in single-crystal form and also be grown epitaxially with high quality. Ga2O3-based metal-semiconductor field-effect transistors have been reported. The material also lends itself to the production of free-standing nanolayers with thicknesses of one or a few monolayers, highlighting its promise as a 2D conductor. During this project we have performed systematic first-principles studies of the following topics: (1) properties of the bulk material, such as an accurate electronic band structure, phonon spectra, and the effects of strain, characterized by deformation potentials and elastic constants; (2) alloys with In2O3 and Al2O3; (3) effects of doping, in particular the role of carbon, as well as n-type doping with transition-metals; (4) limitations of the transparency of Ga2O3 because of indirect free-carrier absorption; (5) the processes limiting the mobility of free carriers in Ga2O3; and (6) the properties of free-standing and embedded nanolayers. The project has resulted in 8 publications, with several more still in progress, and 10 conference talks (including one keynote and 7 invited talks).
Document Details
- Document Type
- Technical Report
- Publication Date
- Nov 25, 2016
- Accession Number
- AD1063270
Entities
People
- Chris G. Van de Walle
Organizations
- University of California, Santa Barbara