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First-principles study of structure and properties of ω-Ti2Zr

✍ Scribed by Zhang, Pinliang; Meng, Fanchen; Gong, Zizheng; Ji, Guangfu; Cui, Shouxin; Wei, Dong-qing

Book ID
120189780
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
876 KB
Volume
74
Category
Article
ISSN
0927-0256

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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