First-principles study of structural, op
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Qijun Liu; Zhengtang Liu; Liping Feng; Bing Xu
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Article
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2009
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Elsevier Science
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English
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The structural, optical and elastic properties of cubic HfO 2 were studied using the plane-wave ultrasoft pseudopotential technique based on the first-principles density-functional theory (DFT). The groundstate properties such as lattice parameter and bulk modulus were calculated and these results a