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- W1978396775 abstract "Extended Huckel molecular orbital and tight-binding band structure calculations have been performed on ZrNi 4 P 2 and then applied through a rigid band model to related compounds with the same ZrFe 4 Si 2 -type structure. The electronic structure has been built up step by step, from fragments, in order to obtain a better understanding of the main interactions which govern the evolution of the lengths of the metal-metal bonds and the lattice cohesion. The role of the 3d metal electron count and that of the ligand matrix are displayed and discussed" @default.
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- W1978396775 date "1993-01-01" @default.
- W1978396775 modified "2023-09-25" @default.
- W1978396775 title "Electronic structure of ZrNi4P2 and related compounds with ZrFe4Si2-type structure" @default.
- W1978396775 doi "https://doi.org/10.1016/0925-8388(93)90000-d" @default.
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