Phase stability, electronic and elastic
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Wenxia Feng; Shouxin Cui; Haiquan Hu; Guiqing Zhang; Zengtao Lv; Zizheng Gong
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Article
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2010
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Elsevier Science
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English
โ 513 KB
The structural stability, electronic and elastic properties of ScN under high pressure were investigated by using full-potential linearized augmented plane-wave (FP-LAPW) method. Our calculations indicate that there exists a pressure-induced structural phase transformation from the ambient rock-salt