2008/09/03 by Alaska Subedi, David J. Singh · 2 citations
Business, Management and Accounting · Materials Science · Physics and Astronomy · #Intellectual Capital and Performance Analysis #Iron-based superconductors research #Superconductivity in MgB2 and Alloys #cond-mat.supr-con
paper · pdf · doi:10.1103/physrevb.78.132511
published as Phys. Rev. B 78, 132511 (2008). · Phonon dispersion figure corrected
arxiv created 2008/09/03 · openalex publication_date 2008/10/27 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
We investigate the properties of BaNi2As2 using first-principles calculations. The band structure has a similar shape to that of BaFe2As2, 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 BaFe2As2, 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 BaNi2As2 has large Fermi surfaces very distinct from BaFe2As2. 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(EF).