Инд. авторы:	Atuchin V.V., Lin Z.S., Isaenko L.I., Kesler V.G., Kruchinin V.N., Lobanov S.I.
Заглавие:	Optical properties of LiGaS2: An ab initio study and spectroscopic ellipsometry measurement
Библ. ссылка:	Atuchin V.V., Lin Z.S., Isaenko L.I., Kesler V.G., Kruchinin V.N., Lobanov S.I. Optical properties of LiGaS2: An ab initio study and spectroscopic ellipsometry measurement // Journal of Physics: Condensed Matter. - 2009. - Vol.21. - Iss. 45. - Art.455502. - ISSN 0953-8984. - EISSN 1361-648X.
Внешние системы:	DOI: 10.1088/0953-8984/21/45/455502; SCOPUS: 2-s2.0-72149113368;
Реферат:	eng: Electronic and optical properties of lithium thiogallate crystal, LiGaS2, have been investigated by both experimental and theoretical methods. The plane-wave pseudopotential method based on DFT theory has been used for band structure calculations. The electronic parameters of Ga 3d orbitals have been corrected by the DFT+U methods to be consistent with those measured with x-ray photoemission spectroscopy. Evolution of optical constants of LiGaS2 over a wide spectral range was determined by developed first-principles theory and dispersion curves were compared with optical parameters defined by spectroscopic ellipsometry in the photon energy range 1.2-5.0eV. Good agreement has been achieved between theoretical and experimental results. © 2009 IOP Publishing Ltd.
Ключевые слова:	Spectroscopic ellipsometry; Probability density function; Optical constants; Gallium; Emission spectroscopy; X ray photoemission spectroscopy; Wide spectral range; Thiogallate; Spectroscopic ellipsometry measurements; Optical properties; Photon energy range; Optical parameter; First-principles theory; Electronic parameters; Dispersion curves; DFT theory; D orbitals; Band structure calculation; Ab initio study; Plane-wave pseudopotential method;
Издано:	2009
Физ. характеристика:	455502