Structural and electronic properties of Y-based metallic glasses
Ch Hausleitner; M Tegze; J Hafner; Ch Hausleitner; Inst. fur Theor. Phys., Technical Univ., Wien, Austria; M Tegze; Inst. fur Theor. Phys., Technical Univ., Wien, Austria; J Hafner; Inst. fur Theor. Phys., Technical Univ., Wien, Austria
Журнал:
Journal of Physics: Condensed Matter
Дата:
1992-11-30
Аннотация:
Calculations of the atomic structure and the electronic spectrum of Y-based transition-metal glasses are presented. The investigations are based on a hybridized nearly-free-electron tight-binding-bond approach to the interatomic forces, a molecular-dynamics modelling of the atomic structure, and linear-muffin-tin-orbital supercell calculations of the electronic density of states and of the photoemission intensities. The results explain the physical origin of the strong chemical and topological short-range-order effects observed in these materials and their relation to the d-band shifts observed in the photoelectron spectra.
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