This article is cited in 2 papers

Semiconductors

Electronic structure of OR-AgInS$_{2}$ and TiO$_{2}$ crystals and its differential characteristics

A. B. Gordienko, D. I. Filippov

Kemerovo State University

Abstract: The electronic structures of orthorhombic silver–indium sulfide and rutile titanium oxide were calculated within the framework of density functional theory using the basis of numerical pseudoatomic orbitals in the LDA and GGA approximations. The features of their electron energy spectra and the character of chemical bonds were considered. The comparative analysis of obtained bandgap widths and effective masses determined for heavy electrons and holes in the Brillouin zone center on the basis of analytical derivatives of one-electron energies was performed.

Received: 13.11.2017

DOI: 10.21883/FTT.2018.05.45777.325

 English version: Physics of the Solid State, 2018, 60:5, 858–864

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