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• W2038608199 startingPage "455502" @default.
• W2038608199 abstract "Electronic and optical properties of lithium thiogallate crystal, LiGaS(2), 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 LiGaS(2) 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 1.2-5.0 eV. Good agreement has been achieved between theoretical and experimental results." @default.
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• W2038608199 date "2009-10-23" @default.
• W2038608199 modified "2023-09-30" @default.
• W2038608199 title "Optical properties of LiGaS₂: an<i>ab initio</i>study and spectroscopic ellipsometry measurement" @default.
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• W2038608199 doi "https://doi.org/10.1088/0953-8984/21/45/455502" @default.
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