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A first-principle calculation of structural, mechanical and electronic properties of titanium borides

โœ Scribed by Hai-yan YAN; Qun WEI; Shao-mei CHANG; Ping GUO


Book ID
117694576
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
426 KB
Volume
21
Category
Article
ISSN
1003-6326

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โœ Erjun Zhao; Jinping Wang; Jian Meng; Zhijian Wu ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 377 KB

The phase stability and elastic properties of Re-B system were systematically investigated by use of the density functional theory. The formation enthalpies are negative for Re(3)B, Re(7)B(3), Re(2)B, ReB, Re(2)B(3), and ReB(2), indicating that they are thermodynamically stable. Re(7)B(3), Re(2)B, R