Structural and electronic properties of Y 2 CrS 4 from first-principles study

B.-T. Wang (), W. Yin, W.-D. Li and F. Wang ()

The European Physical Journal B: Condensed Matter and Complex Systems, 2011, vol. 80, issue 3, 307-310

Abstract: We systematically study the structural, electronic, and magnetic properties of chromium sulfide Y 2 CrS 4 by using density-functional theory. We find that antiferromagnetic order is more energetically favorable than ferromagnetic state and near the Fermi level the main occupation is from Cr 3d states. Copyright EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2011

Date: 2011
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DOI: 10.1140/epjb/e2011-10914-7

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