The investigation of crystal structure, elastic and optoelectronic properties of CuSbS2 and CuBiS2 compounds for photovoltaic applications
作者： Abdelaziz Gassoumi , Mohamed Musa Saad H.-E , Salem Alfaify , Tarek Ben Nasr , Nadir Bouarissa
DOI: 10.1016/J.JALLCOM.2017.07.141
关键词:
摘要: Abstract The crystal structures, electronic, elastic and optical properties of the ternary compounds CuSbS 2 CuBiS have been investigated by using full-potential linear augmented plane wave (FP-LAPW) method. From this study, it is found that indirect band gap energies which are calculated with mBJ potential as 1.28 1.05 eV, respectively. crystallizes in an orthorhombic structure, Pnma space group, lattice parameters a = 6.018 A, b = 3.795 A c = 14.495 A, has also group a = 6.134 A, b = 3.911 A c = 14.548 A, used our calculations. Optical parameters, such dielectric constant, refractive index reflectivity analyzed. Elastic for first time. results demonstrated to be photovoltaic applications.
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