The Band Structure of Semiconducting Tetragonal Na4Cu2S3 Phase


Davletshina A.D. Yakshibaev R.A. Balapanov M.K. Kubenova M.M.
2024L.N. Gumilyov Eurasian National University

Eurasian Journal of Physics and Functional Materials
2024#8Issue 4194 - 198 pp.

Previously unknown the band structure of Na4Cu2S3 compound has been calculated from first principles. According to the obtained results, the compound exhibits semiconducting properties. The Na4Cu2S3 compound has the band gap 2.164 eV and it is characterized by a high density of states near the Fermi level.

Band structure , Chalcogenides , Copper sulfide , Semiconducting material

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Institute of Physics and Technology, Ufa University of Science and Technology, Ufa, 450076, Russian Federation
Institute of Physics and Technology, L.N. Gumilyov Eurasian National University, Astana, 010008, Kazakhstan

Institute of Physics and Technology
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