Electronic Structure of Zinc-Blende Zn0.5V0.5Se: Theoretical Study

R. Markowski, A. Hołda, D. Dębowska, A. Kisiel, M. Zimnal-Starnawska Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Kraków, Poland M. Piacentini Dipartimento di Energetica, Universita degli Studi di Roma "La Sapienza", via A. Scarpa 14, 00161 Roma, Italy N. Zema and F. Lama Istituto di Struttura della Materia del CNR, via E. Fermi 38, 00044 Frascati, Italy

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In this paper we present a comprehensive study of electronic structure of Zn0.5V0.5Se from the theoretical point of view. Partial and total density of states for spin-polarized antiferromagnetic phase of Zn0.5V0.5Se as well as schematic layouts of the bands have been obtained using the ab initio self-consistent semirelativistic linear muffin-tin orbital method.

DOI: 10.12693/APhysPolA.88.1023 PACS numbers: 71.20.-b, 71.20.Cf, 71.70.-d