First-principles calculations of antimony sulphide Sb2S3
نویسندگان
چکیده
منابع مشابه
First-principles study of the lattice dynamics of Sb2S3.
We present a lattice dynamics study of orthorhombic antimony sulphide (Sb2S3) obtained using density-functional calculations in conjunction with the supercell force-constant method. The effect of Born effective charges is taken into account using a mixed-space approach, resulting in the splitting of longitudinal and transverse optical (LO-TO) phonon branches near the zone center. Zone-center fr...
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ژورنال
عنوان ژورنال: Malaysian Journal of Fundamental and Applied Sciences
سال: 2017
ISSN: 2289-599X,2289-5981
DOI: 10.11113/mjfas.v13n3.598