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Band gap and stability in the ternary intermetallic compounds NiSn M ( M =Ti,Zr,Hf): A first-principles study

✍ Scribed by Öğüt, Serdar; Rabe, Karin M.


Book ID
120545122
Publisher
The American Physical Society
Year
1995
Tongue
English
Weight
757 KB
Volume
51
Category
Article
ISSN
1098-0121

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The thermodynamic properties of solid solutions with body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) structures in the Al-TM (TM = Ti, Zr and Hf) systems are calculated from first-principles using cluster expansion (CE), Monte-Carlo simulation and supercell meth