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• W2017585939 abstract "First principles calculation shows that the Nb and W atoms have a tendency to mix instead of phase separate in the Nb–W bulk within the entire composition range, and the interaction between Nb and W atoms has a nonlinear effect on the density of states of the Nb–W bulk at the Fermi level. Calculation also reveals that the surface segregation of Nb atoms is energetically favorable with an energy decrease of 0.4–0.55eV/atom, and the segregation has important effects on the electronic structures of Nb–W surfaces. Interestingly, the work function of Nb–W phases is insensitive to the composition as well as the Nb surface segregation when W is in the range of 0–60at.%, and over this composition range, the work function remains relatively stable." @default.
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• W2017585939 date "2008-02-15" @default.
• W2017585939 modified "2023-10-16" @default.
• W2017585939 title "Electronic structures of Nb–W bulk and surface from first principles calculation" @default.
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• W2017585939 doi "https://doi.org/10.1063/1.2844467" @default.
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