The electronic structure of lithium metagallate
| Autor: | Alexander Moewes, Neil W. Johnson, John A. McLeod |
|---|---|
| Rok vydání: | 2011 |
| Předmět: |
Optics and Photonics
Valence (chemistry) Molecular Structure Chemistry Band gap Ab initio Spectrometry X-Ray Emission Heterojunction Electrons Gallium Oxides Electronic structure Condensed Matter Physics Semimetal Semiconductors Lithium Compounds Quantum Theory Thermodynamics General Materials Science Direct and indirect band gaps Density functional theory Atomic physics Electronics Algorithms |
| Zdroj: | Journal of physics. Condensed matter : an Institute of Physics journal. 23(44) |
| ISSN: | 1361-648X |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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