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- W1987579463 abstract "The linear-muffin-tin-orbital method is used to study the electronic structure of ${mathrm{Ni}}_{1mathrm{ensuremath{-}}mathrm{x}}$${mathrm{P}}_{mathrm{x}}$, a prototype transition-metal--metalloid glass. Recent studies of c-${mathrm{Ni}}_{3}$P and a-${mathrm{Ni}}_{3}$P, based on the orthogonalized linear-combination-of-atomic-orbitals method, show that the densities of states of the two structures are quite similar. Because of this result and the complexity of the self-consistent spin-polarized calculations, the 16-atom cluster of c-${mathrm{Ni}}_{3}$P is used to simulate the amorphous structure. The calculated results agree very well with the observed rapid decrease in the density of states at the Fermi level as x increases from 0.125 to 0.25. This rapid decrease in the density of states at the Fermi level with increasing x also explains the disappearance of a ferromagnetic phase transition in ${mathrm{Ni}}_{1mathrm{ensuremath{-}}mathrm{x}}$${mathrm{P}}_{mathrm{x}}$ glass for x greater than 0.18--0.19. The electronic structure responsible for the many interesting properties of a transition-metal--metalloid glass arises from a complex hybridization of transition-metal and metalloid orbitals." @default.
- W1987579463 created "2016-06-24" @default.
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- W1987579463 date "1986-12-15" @default.
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- W1987579463 title "Electronic structure and properties of transition-metal-metalloid glasses: Ni1-xPx." @default.
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- W1987579463 doi "https://doi.org/10.1103/physrevb.34.8937" @default.
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