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arXiv · 1402.6789

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
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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.

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M. A. Korotin, Z. V. Pchelkina, N. A. Skorikov, E. Z. Kurmaev, V. I. Anisimov. 2014-02-27. CPA for strongly correlated systems: Electronic structure and magnetic properties of NiO-ZnO solid solutions. https://arxiv.org/abs/1402.6789

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