Structural, electronic and magnetic prop
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L. Hua; J. He
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Article
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2011
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Elsevier Science
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English
⚖ 719 KB
We have investigated the structural, electronic and magnetic properties of Mn 3 Cu 1 À x Sn x N(x ¼0, 0.5) using first-principles density functional theory within the generalized gradient approximation (GGA) + U schemes. The crystal structure of the compounds is tetragonal crystal for x ¼ 0 while it