We study electronic structure of the (0001) surfaces of graphite with a rhombohedral stacking arrangement by performing the first-principles total-energy calculations based on the density functional theory. We find that ferrimagnetic spin polarization occurs on the (0001) surfaces of rhombohedral graphite. Detailed analyses of energy bands, spin densities, and wave-function distribution unequivocally reveal the nature of the ferrimagnetic spin polarization, which is associated with the peculiar surface-localized state that possesses the same characteristics as the edge-localized states of graphite flakes.
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - 2010 Apr 7|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics