Electronic structure and hybridisation effects in transition-metal-polyvalent-metal alloys
D Nguyen Manh; D Mayou; A Pasturel; F Cyrot-Lackmann; D Nguyen Manh; Lab. d'Etudes des Proprietes Electron. des Solides, Grenoble, France; D Mayou; Lab. d'Etudes des Proprietes Electron. des Solides, Grenoble, France; A Pasturel; Lab. d'Etudes des Proprietes Electron. des Solides, Grenoble, France; F Cyrot-Lackmann; Lab. d'Etudes des Proprietes Electron. des Solides, Grenoble, France
Журнал:
Journal of Physics F: Metal Physics
Дата:
1985-09-01
Аннотация:
A simple tight-binding model is for a quantitative study of hybridisation effects in transition-metal-polyvalent-metal (T-P) alloys. The model is not an ab initio calculation but it requires only the data on elemental properties of pure metal constituents which are readily available in the literature. The Cluster-Bethe lattice method is used to calculate the electronic density of states and thermodynamic properties of (Fe, Co, Ni)<sub>x</sub>Al<sub>1-x</sub> and Co<sub>x</sub>Ga<sub>1-x</sub> alloys. It is shown that the electronic density of states around equiatomic composition is characterised by the occurrence of a pseudogap near the top of the d band. The authors use the model to discuss the essential features of some anomalous electronic and thermodynamic properties of T-P alloys.
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