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Elastic stability and electronic structure of fcc Ti, Zr, and Hf: A first-principles study

✍ Scribed by Aguayo, A.; Murrieta, G.; de Coss, R.


Book ID
121459405
Publisher
The American Physical Society
Year
2002
Tongue
English
Weight
58 KB
Volume
65
Category
Article
ISSN
1098-0121

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First-principles study on electronic str
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An investigation into the equation of state (EOS), electronic and elastic properties of Zr 2 SC has been conducted by first-principles pseudopotential calculations. The calculated EOS is well consistent with the recent experimental reports. The absence of band gap at the Fermi level and the finite v