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Article
A Benchmark for Some Physical Properties of Zinc-Blende ZnS
Author(s)
Melek Güler and Emre Güler
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DOI:10.17265/2161-6221/2014.12.010
Affiliation(s)
Department of Physics, Hitit University, Corum 19030, Turkey
ABSTRACT
Somephysical properties of zinc-blende polytype of ZnS were investigated via geometry optimization calculations. After employing a shell model interatomic potential to our computations, some physical parameters such as typical cubic elastic constants, young modulus, shear modulus, bulk modulus, poisson ratio, elastic wave velocities, static and high frequency dielectric constants, and static refractive index zinc-blende ZnS were deduced. Later, previous theoretical results and our current results with each other as well as with former experimental findings were evaluated. Present results exhibit a fair consistency with experiments and better than those of several recent density functional theory results for the considered parameters of related material.
KEYWORDS
Zinc-blende, ZnS, bulk modulus, elastic constants.
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