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First-principles study on the structure, elastic and electronic properties of hexagonal HfPtAl under pressure

โœ Scribed by Haizhou Wang; Yongzhong Zhan; Mingjun Pang


Book ID
118501212
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
413 KB
Volume
152
Category
Article
ISSN
0038-1098

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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