反键分子轨道
半导体
半金属
带隙
凝聚态物理
直接和间接带隙
材料科学
价(化学)
无缝回放
准费米能级
简并能级
原子轨道
物理
光电子学
量子力学
电子
摘要
Most cubic semiconductors have threefold degenerate p-bonding valence bands and nondegenerate s-antibonding conduction bands. This allows strong interband transitions from the valence to the conduction bands. On the other hand, intervalence band transitions within p-bonding orbitals in conventional p-type semiconductors are forbidden at k=0 and, therefore, weak, but observable. In gapless semiconductors, however, the s-antibonding band moves down between the split-off hole band and the valence band maximum due to the Darwin shift. This band arrangement makes them three-dimensional topological insulators. It also allows strong interband transitions from the s-antibonding valence band to the p-bonding bands, which have been observed in α-tin with Fourier-transform infrared spectroscopic ellipsometry [Carrasco et al., Appl. Phys. Lett. 113, 232104 (2018)]. This manuscript presents a theoretical description of such transitions applicable to many gapless semiconductors. This model is based on k→⋅p→ theory, degenerate carrier statistics, the excitonic Sommerfeld enhancement, and screening of the transitions by many-body effects. The impact of nonparabolic bands is approximated within Kane’s 8×8k→⋅p→-model by adjustments of the effective masses. This achieves agreement with experiments.
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