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.
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Materials Science(all)
- Condensed Matter Physics