TY - JOUR
T1 - Intrinsic magnetic moment on (0001) surfaces of rhombohedral graphite
AU - Otani, Minoru
AU - Koshino, Mikito
AU - Takagi, Yoshiteru
AU - Okada, Susumu
PY - 2010/4/7
Y1 - 2010/4/7
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevB.81.161403
DO - 10.1103/PhysRevB.81.161403
M3 - Article
AN - SCOPUS:77955372135
VL - 81
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
SN - 0163-1829
IS - 16
M1 - 161403
ER -