Department of Materials Science and Engineering, University of Utah , Salt Lake City, Utah 84112, United States.
Nano Lett. 2014 May 14;14(5):2879-83. doi: 10.1021/nl5009212. Epub 2014 May 5.
Based on first-principles and tight-binding calculations, we report that the topological edge states of zigzag Bi(111) nanoribbon can be significantly tuned by H edge adsorption. The Fermi velocity is increased by 1 order of magnitude, as the Dirac point is moved from the Brillouin zone boundary to the Brillouin zone center, and the real-space distribution of Dirac states are made twice more delocalized. These intriguing changes are explained by an orbital filtering effect of edge H atoms, which pushes certain components of the p orbital of edge Bi atoms out of the band gap regime that reshapes the topological edge states. In addition, the spin texture of the Dirac states is also modified, which is described by introducing an effective Hamiltonian. Our findings not only are of fundamental interest but also have practical implications in potential applications of topological insulators.
基于第一性原理和紧束缚计算,我们报告了边缘吸附 H 原子可以显著调节锯齿型 Bi(111)纳米带的拓扑边缘态。狄拉克点从布里渊区边界移动到布里渊区中心,费米速度提高了一个数量级,同时狄拉克态的实空间分布也变得更加弥散。这种有趣的变化可以通过边缘 H 原子的轨道滤波效应来解释,它将边缘 Bi 原子的 p 轨道的某些成分推出能带隙范围,从而重塑拓扑边缘态。此外,狄拉克态的自旋结构也被修改,这可以通过引入有效哈密顿量来描述。我们的发现不仅具有基础研究的意义,而且在拓扑绝缘体的潜在应用中具有实际意义。