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Electronic structures, phase stability and hardness of technetium boride: First-principles calculation

โœ Scribed by Jianfu Li; Xiaoli Wang; Kai Liu; Yuanyuan Sun; Li Chen; Haigui Yang


Book ID
103888409
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
534 KB
Volume
405
Category
Article
ISSN
0921-4526

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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