Intrinsic magnetic moment on (0001) surfaces of rhombohedral graphite

作     者：Minoru Otani Mikito Koshino Yoshiteru Takagi Susumu Okada 

作者机构：Research Institute for Computational Sciences National Institute of Advanced Industrial Science and Technology (AIST) Tsukuba 305-8568 Japan Japan Science and Technology Agency CREST 5 Sanbancho Chiyoda-ku Tokyo 102-0075 Japan Department of Physics Tokyo Institute of Technology 2-12-1 Oh-okayama Meguro-ku Tokyo 152-8551 Japan Graduate School of Pure and Applied Sciences and Center for Computational Sciences University of Tsukuba 1-1-1 Tennodai Tsukuba 305-8571 Japan 

出 版 物：《Physical Review B》 (Phys. Rev. B Condens. Matter Mater. Phys.)

年 卷 期：2010年第81卷第16期

页      面：161403(R)-161403(R)页

核心收录：

学科分类：0808[工学-电气工程] 0809[工学-电子科学与技术（可授工学、理学学位）] 07[理学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0702[理学-物理学] 

基　　金：CREST, Japan Science and Technology Agency Ministry of Education, Culture, Sports, Science and Technology of Japan 

摘      要：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.