title: The electronic structure of lithium metagallate.
abstract: Herein we present a study of the electronic structure of lithium metagallate (LiGaO(2)), a material of interest in the field of optoelectronics. We use soft x-ray spectroscopy to probe the electronic structure of both the valence and conduction bands and compare our measurements to ab initio density functional theory calculations. We use several different exchange-correlation functionals, but find that no single theoretical approach used herein accurately quantifies both the band gap and the Ga 3d(10) states in LiGaO(2). We derive a band gap of 5.6 eV, and characterize electron hybridization in both the valence and conduction bands. Our study of the x-ray spectra may prove useful in analysing spectra from more complicated LiGaO(2) heterostructures.
authors: Department of Physics and Engineering Physics, University of Saskatchewan, 116 Science Place, Saskatoon, S7N 5E2, Canada. johnson.neil@usask.ca
authors: N W
authors: NW
authors: Johnson
authors: J A
authors: JA
authors: McLeod
authors: A
authors: A
authors: Moewes
mesh_terms: D000465:Algorithms; D004581:Electronics; D004583:Electrons; D005708:Gallium / Q000737:chemistry*; D018020:Lithium Compounds / Q000737:chemistry*; D015394:Molecular Structure; D055095:Optics and Photonics; D010087:Oxides / Q000737:chemistry*; D011789:Quantum Theory; D012666:Semiconductors; D013052:Spectrometry, X-Ray Emission; D013816:Thermodynamics
chemical_list: D018020:Lithium Compounds; D010087:Oxides; D005708:Gallium