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First-principles investigation of Mg2THy (T=Ni, Co, Fe) complex hydrides

โœ Scribed by J. Zhang; D.W. Zhou; P. Peng; J.S. Liu


Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
661 KB
Volume
403
Category
Article
ISSN
0921-4526

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The ground state properties of eta M 3 W 3 C (M =Fe, Co, Ni) compounds are discussed in this paper. The characteristics of chemical bonding and full set of elastic constants were calculated by first-principles calculations. The calculated formation enthalpy values indicate that they are thermodynami