This article is cited in 15 papers

Metals

Electronic structure and stability of Mg$_6$TiM (M = Mg, Al, Zn) and their hydrides

M. G. Shelyapina^a, D. Fruchart^b, S. Miraglia^b, G. Girard<sup>b

a</sup> V. A. Fock Institute of Physics, Saint-Petersburg State University
^b MCMF, Institut Néel, CNRS, Grenoble, France

Abstract: The influence of Al and Zn atoms on the stability of the Mg$_7$Ti compound and its hydride Mg$_7$TiH$_{16}$ has been studied theoretically. The calculations have been carried out in terms of the full-potential linearized augmented plane wave method. It has been demonstrated that the partial substitution of Al or Zn atoms for magnesium atoms leads to a decrease in the stability of the hydride and to an increase in the stability of the intermetallic compound.

Received: 20.01.2010
Accepted: 15.05.2010

 English version: Physics of the Solid State, 2011, 53:1, 6–12

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