Structural, electronic and thermodynamic
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Zuo Li; Pu Wang; Haihua Chen; Xinlu Cheng
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Article
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2011
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Elsevier Science
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English
โ 817 KB
The structural, electronic and thermodynamic properties of cubic Zn 3 N 2 under hydrostatic pressure up to 80 GPa are investigated using the local density approximation method with pseudopotentials of the ab initio norm-conserving full separable Troullier-Martin scheme in the frame of density functi