Structural and electronic properties of β-In2X3 (X=O, S, Se, Te) using ab initio calculations - Marsillac, S.; Mangale, N.S.; Gade, V.; Khare, S.V. (Thin solid films, 2011)
Keywords: Ab initio calculations; Applied sciences; Band structure; Cadmium sulphide; Computation; Computational efficiency; Condensed matter: electronic structure, electrical, magnetic, and optical properties; Condensed matter: structure, mechanical and thermal properties; Density of states; ELECTRICAL PROPERTIES; Electron density of states of crystalline solids; Electron states; ELECTRONIC PRODUCTS; Electronic properties; Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures; Electronics; Energy; Exact sciences and technology; Local density approximation; MATHEMATICAL ANALYSIS; Mechanical and acoustical properties; Methods of electronic structure calculations; Natural energy; PHASES; Photovoltaic conversion; Physical properties of thin films, nonelectronic; Physics; PROPERTIES; SELENIDES; SOLAR CELLS; Solar cells. Photoelectrochemical cells; Solar energy; Structure of specific crystalline solids; Surface and interface electron states; Surface states, band structure, electron density of states; Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties); Band structure; Ab initio calculations; Electron density of states of crystalline solids; Structure of specific crystalline solids; Cadmium sulphide; Local density approximation; Density of states; Gallium; Space groups; Computerized simulation; Energy gap; Unit cell; Copper Indium Selenides Mixed; Electron density; Indium sulfide; Crystal structure; Solar cells; Cadmium; Electronic properties; Layered crystals; Digital simulation; Mechanical properties; Electronic density of states; Lattice parameters; Electronic structure; Electron state; Bulk modulus; Environmental protection