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, Erica Forzani, K. Winzer

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2 Scopus citations

Abstract

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
Volume131
Issue number5-6
DOIs
Publication statusPublished - Jun 2003
Externally publishedYes

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ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

Cite this

Drechsler, S. L., Rosner, H., An, J. M., Pickett, W. E., Servedio, V. D. P., Mishonov, T., ... Winzer, K. (2003). Conventional electronic structure of MgB2 and ZrB2: LDA vs. de Haas-v. Alphen and ARPES data. Journal of Low Temperature Physics, 131(5-6), 1175-1180. https://doi.org/10.1023/A:1023477832477