Fermi surface and electronic density of states of molybdenum

D. D. Koelling*, F. M. Mueller, A. J. Arko, J. B. Ketterson

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

31 Scopus citations

Abstract

The electronic energy-band structure of molybdenum has been calculated by means of the relativistic augmented-plane-wave method applied to the overlapping charge-density model. Full Slater exchange was employed. Calculations of extremal calipers, extremal cross-sectional areas, and cyclotron effective masses for the magnetic field along symmetry directions are reported and compared with experimental data where available. Comparison of the theoretical and experimental cyclotron-mass data indicate an anisotropic electron-phonon mass enhancement of approximately 0.33, which is smaller than the McMillan value of 0.41.

Original languageEnglish (US)
Pages (from-to)4889-4896
Number of pages8
JournalPhysical Review B
Volume10
Issue number12
DOIs
StatePublished - 1974

ASJC Scopus subject areas

  • Condensed Matter Physics

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