The electronic structure of lithium metagallate

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...

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Veröffentlicht in:Journal of physics. Condensed matter Jg. 23; H. 44; S. 445501
Hauptverfasser: Johnson, N W, McLeod, J A, Moewes, A
Format: Journal Article
Sprache:Englisch
Veröffentlicht: England 09.11.2011
Schlagworte:
Algorithms
Electronics
Electrons
Gallium - chemistry
Lithium Compounds - chemistry
Molecular Structure
Optics and Photonics
Oxides - chemistry
Quantum Theory
Semiconductors
Spectrometry, X-Ray Emission
Thermodynamics
ISSN:1361-648X, 1361-648X
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Zusammenfassung: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.
Bibliographie:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:1361-648X
1361-648X
DOI:10.1088/0953-8984/23/44/445501