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arXiv 1407.0945cond-mat.mes-hall
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拓扑绝缘体的边界条件和表面态谱

Boundary Conditions and Surface States Spectra in Topological Insulators

V. V. Enaldiev, I. V. Zagorodnev, V. A. Volkov

摘要:

通过对有效的${\bf k}{\bf p}$ -哈密顿量和拓扑绝缘体的紧束缚模型构造一类可行的时间反演不变边界条件,研究了二维HgTe/(Hg,Cd)Te量子阱拓扑绝缘体和三维Bi $_2$ Se $_3$型化合物的表面态谱. BC包含一些唯象参数,这些参数隐含地依赖于体哈密顿参数和晶体表面附近的晶体势行为。空间对称性将边界参数的数量减少到2D情况下的四个实参数和3D情况下的三个实参数。我们发现,边界参数可能会强烈影响不仅是能谱,但甚至这些状态的存在内部的布里渊区中心附近的体隙。然而,我们揭示了紧束缚模型的框架中,当表面态不存在于布里渊区中心的体间隙中时,它们穿过布里渊区的其他点的间隙,与体边界对应一致。

英文摘要:

We study spectra of surface states in 2D topological insulators (TIs) based on HgTe/(Hg,Cd)Te quantum wells and 3D Bi$_2$Se$_3$-type compounds by constructing a class of feasible time-reversal invariant boundary conditions (BCs) for an effective ${\bf k}{\bf p}$-Hamiltonian and a tight-binding model of the topological insulators. The BCs contain some phenomenological parameters which implicitly depend on both bulk Hamiltonian parameters and crystal potential behavior near the crystal surface. Space symmetry reduces the number of the boundary parameters to four real parameters in the 2D case and three in the 3D case. We found that the boundary parameters may strongly affect not only an energy spectrum but even the very existence of these states inside the bulk gap near the Brillouin zone center. Nevertheless, we reveal in frames of the tight-binding model that when surface states do not exist in the bulk gap in the Brillouin zone center they cross the gap in other points of the Brillouin zone in agreement with the bulk-boundary correspondence.

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