CPA for strongly correlated systems: Electronic structure and magnetic properties of NiO-ZnO solid solutions

M. A. Korotin; Z. V. Pchelkina; N. A. Skorikov; E. Z. Kurmaev; V. I. Anisimov

CPA for strongly correlated systems: Electronic structure and magnetic properties of NiO-ZnO solid solutions

Strongly Correlated Electrons 2014-02-28 v1 Materials Science

Authors: M. A. Korotin , Z. V. Pchelkina , N. A. Skorikov , E. Z. Kurmaev , V. I. Anisimov

Abstract

The method of electronic structure calculations for strongly correlated disordered materials is developed employing the basic idea of coherent potential approximation (CPA). Evolution of electronic structure and spin magnetic moment value with concentration $x$ in strongly correlated Ni $_{1-x}$ Zn $_x$ O solid solutions is investigated in the frame of this method. The obtained values of energy gap and magnetic moment are in agreement with the available experimental data.

Keywords

coherent potential approximation strongly correlated systems electronic structure magnetic properties solid solutions disordered materials

Cite

@article{arxiv.1402.6789,
  title  = {CPA for strongly correlated systems: Electronic structure and magnetic properties of NiO-ZnO solid solutions},
  author = {M. A. Korotin and Z. V. Pchelkina and N. A. Skorikov and E. Z. Kurmaev and V. I. Anisimov},
  journal= {arXiv preprint arXiv:1402.6789},
  year   = {2014}
}

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Accepted to the Journal of Physics: Condensed Matter

CPA for strongly correlated systems: Electronic structure and magnetic properties of NiO-ZnO solid solutions

Abstract

Keywords

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