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Structural and vibrational properties of high-dielectric oxides, HfO2 and TiO2: A comparative study

✍ Scribed by A. Debernardi; M. Fanciulli


Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
179 KB
Volume
9
Category
Article
ISSN
1369-8001

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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