Electronic Structure of Zinc-Blende Zn0.5Co0.5Se: Theoretical Study |
| A. Hołda, R. Markowski, 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 partial densities of states for spin-polarized antiferromagnetic phase of Zn0.5Co0.5Se as well as schematic layouts of the bands, obtained using the ab initio self-consistent semi-relativistic linear muffin tin orbital method. We also present, from theoretical point of view, the analysis of influence of the transition metal cobalt on the electronic structure of a pure ZnSe. |
| DOI: 10.12693/APhysPolA.90.817 PACS numbers: 71.20.-b, 71.20.Cf, 71.70.-d |