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Ab-initio thermodynamic calculations of Mg2BIV (BIV = Si, Ge, Sn) solid solutions

✍ Scribed by Q. Zhang; X. B. Zhao; T. J. Zhu; J. P. Tu


Book ID
112182647
Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
282 KB
Volume
2
Category
Article
ISSN
1862-6254

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Stability of Ti–B–N solid solutions and
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The ab initio density functional theory (DFT) has been used to calculate the properties of binary face-centered cubic (fcc)(NaCl)-and fcc (ZnS)-TiN and BN, hexagonal-close-packed (hcp)-TiB 2 , and ternary Ti 1Γ€x B x N and TiB x N 1Γ€x solution phases. In order to study the stability of the ternary fc