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Elastic and vibrational properties of monoclinic HfO 2 from first-principles study

โœ Scribed by Wu, Rui; Zhou, Bo; Li, Qian; Jiang, ZhenYi; Wang, WenBo; Ma, WenYan; Zhang, XiaoDong


Book ID
120978216
Publisher
Institute of Physics
Year
2012
Tongue
English
Weight
396 KB
Volume
45
Category
Article
ISSN
0022-3727

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First-principles study of structural, op
โœ Qijun Liu; Zhengtang Liu; Liping Feng; Bing Xu ๐Ÿ“‚ Article ๐Ÿ“… 2009 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 288 KB

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