Energy band structure of graphite is calculated for the special purpose of investigating interlay er bands and related unoccupied energy bands. For this purpose we adopt the numerical basis-set DV-Xα LCAO method and in particular we take into account carbon 3s and 3p orbitals of unoccupied states as the atomic basis functions. Interlayer bands are definitely obtained by the present method. The calculated result is compared with recent experiments of angle resolved inverse photoemission and other band calculations. The agreement between them is satisfactory.
ASJC Scopus subject areas
- Physics and Astronomy(all)