Title :
Exploration of optical and electronic parameters of lithium thiogallate (LiGaS2)
Author :
Atuchin, Victor V. ; Isaenko, Ludmila I. ; Kesler, Valeriy G. ; Lin, Zheshuai ; Lobanov, S.I.
Author_Institution :
Lab. of Opt. Mater. & Struct., SB RAS, Novosibirsk, Russia
fDate :
June 30 2011-July 4 2011
Abstract :
Electronic and optical properties of the infrared crystal LiGaS2 are studied by both experimental and theoretical methods. Based on the X-ray photoelectron spectroscopy measurements, the electronic structures of Ga 3d orbitals are corrected by the GGA+U methods. Linear and nonlinear optical parameters of LiGaS2 are determined by the first-principles theory and compared with earlier published experimental results. Good agreement is obtained between theoretical and experimental parameters.
Keywords :
X-ray photoelectron spectra; ab initio calculations; crystal growth from melt; density functional theory; energy gap; gallium compounds; gradient methods; infrared spectra; lithium compounds; nonlinear optics; optical materials; transparency; Bridgman method; Ga 3d orbitals; LiGaS2; Linear optical parameters; X-ray photoelectron spectroscopy; band gap; density functional theory; electronic properties; electronic structures; first-principles theory; gradient approximation methods; infrared crystal; lithium thiogallate; nonlinear optical parameters; optical properties; transparency; Crystals; Frequency conversion; Nonlinear optics; Optical refraction; Optical variables control; Physics; Solids; DFT method; LiGaS2; crystal growth; electronic structure;
Conference_Titel :
Micro/Nanotechnologies and Electron Devices (EDM), 2011 International Conference and Seminar of Young Specialists on
Conference_Location :
Erlagol, Altai
Print_ISBN :
978-1-61284-793-1
DOI :
10.1109/EDM.2011.6006881
