Conventional electronic structure of MgB2 and ZrB2: LDA vs. de Haas-v. Alphen and ARPES data

S. L. Drechsler, H. Rosner, J. M. An, W. E. Pickett, V. D.P. Servedio, T. Mishonov, E. Forzani, K. Winzer

Research output: Contribution to journalArticlepeer-review

2 Scopus citations


We compare full potential LDA band calculations of the Fermi surfaces areas and band masses of MgB2 and ZrB2 previously reported 1,3-5 and new dHvA data. Discrepancies in areas in MgB2 can be removed by a small shift of σ bands relative to π bands. Comparison of effective masses lead to orbit averaged el-ph coupling constants λσ=1.3 and λπ=0.5, whereas for ZrB2 only weak el-ph coupling with λ < 0.3 is found. The ARPES data6 can be also well described by the LDA showing the presence of surface states.

Original languageEnglish (US)
Pages (from-to)1175-1180
Number of pages6
JournalJournal of Low Temperature Physics
Issue number5-6
StatePublished - Jun 2003
Externally publishedYes

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Materials Science(all)
  • Condensed Matter Physics


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