体和约束结构中复杂能带结构的计算

S. E. Laux
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引用次数: 13

摘要

用spds*原子紧结合哈密顿量计算了Si的复能带,并对体结构和约束结构进行了自旋轨道分裂。具有代表性的能带结构如图所示。体Si计算表明,[1 0 0]方向的带间隧穿电流应该小于[1 1 0]或[1 1 1 1]方向,这与实验在质量上是一致的。
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Computation of Complex Band Structures in Bulk and Confined Structures
Complex bands are computed for Si using a spds* atomistic tight binding Hamiltonian with spin orbit splitting for both bulk and confined structures. Representative band structures are shown. The bulk Si calculations imply that band-toband tunneling current should be less in the [1 0 0] direction compared to either [1 1 0] or [1 1 1] directions, which is qualitatively consistent with experiment.
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