Photoluminescence and electronic structure of α'-Ag8GeS6 crystals
I. V. Semkiv,
N. Y. Kashuba,
H. A. Ilchuk
et al.
Abstract:The Ag8GeS6 crystal was synthesized by the direct melting of the elementary Ag, Ge, and S high-purity grade stoichiometric mixture in a sealed quartz ampoule. This argyrodite crystallizes in orthorhombic structure [Pna21 space group (No. 33)] below ≈483 K. The theoretical first-principle calculations of the electronic band structure and density of states of an α'-Ag8GeS6 crystal are estimated by the generalized gradient approximation. The Perdew–Burke–Ernzerhof functional was utilized. All of the calculated pa… Show more
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