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Ab initio study of electronic structure and magnetic properties of copper (II) terephthalate

โœ Scribed by L. Zhu; K.L. Yao; Z.L. Liu


Publisher
Elsevier Science
Year
2005
Tongue
English
Weight
274 KB
Volume
370
Category
Article
ISSN
0921-4526

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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