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Ab initio study of structural distortion and its influence on the magnetic properties of metallic dilute alloys

โœ Scribed by N. Papanikolaou; R. Zeller; P.H. Dederichs; N. Stefanou

Book ID
117627105
Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
415 KB
Volume
8
Category
Article
ISSN
0927-0256

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Based on ab initio total energy calculations, the structural, electronic and magnetic properties of RhH alloy with both cubic and tetrahedral structures are investigated as a function of the volume. It is shown that NaCl-type cubic structure is more stable than the tetrahedral one energetically as o