Wannier函数
磁性
凝聚态物理
电子能带结构
点反射
电子结构
物理
磁矩
密度泛函理论
格子(音乐)
半金属
角动量
带隙
量子力学
声学
作者
Takashi Koretsune,Ryotaro Arita,Hideo Aoki
标识
DOI:10.1103/physrevb.86.125207
摘要
A peculiar manifestation of orbital angular momentum is proposed for a zeolite-templated carbon system, C${}_{36}$H${}_{9}$. The structure, being a network of nanoflakes in the shape of a ``pinwheel,'' lacks inversion symmetry. While the unit cell is large, the electronic structure obtained with a first-principles density-functional theory and captured as an effective tight-binding model in terms of maximally localized Wannier functions, exhibits an unusual feature that the valence band top comes from two chiral states having orbital magnetic momenta of $\ifmmode\pm\else\textpm\fi{}1$. The noncentrosymmetric lattice structure then makes the band dispersion asymmetric, as reminiscent of, but totally different from, spin-orbit systems. The unusual feature is predicted to imply a current-induced orbital magnetism when holes are doped.
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