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- W2076751995 abstract "We investigate the properties of ${text{BaNi}}_{2}{text{As}}_{2}$ using first-principles calculations. The band structure has a similar shape to that of ${text{BaFe}}_{2}{text{As}}_{2}$, and in particular shows a pseudogap between a manifold of six heavy $d$ electron bands and four lighter $d$ bands, i.e., at an electron count of six $d$ electrons per Ni. However, unlike ${text{BaFe}}_{2}{text{As}}_{2}$, where the Fermi energy occurs at the bottom of the pseudogap, the two additional electrons per Ni in the Ni compound place the Fermi energy in the upper manifold. Thus ${text{BaNi}}_{2}{text{As}}_{2}$ has large Fermi surfaces very distinct from ${text{BaFe}}_{2}{text{As}}_{2}$. Results for the phonon spectrum and electron-phonon coupling are consistent with a classification of this material as a conventional phonon-mediated superconductor although spin fluctuations and nearness to magnetism may be anticipated based on the value of $N({E}_{F})$." @default.
- W2076751995 created "2016-06-24" @default.
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- W2076751995 date "2008-10-27" @default.
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- W2076751995 title "Density functional study of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mtext>BaNi</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mtext>As</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>: Electronic structure, phonons, and electron-phonon superconductivity" @default.
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- W2076751995 doi "https://doi.org/10.1103/physrevb.78.132511" @default.
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