Abstract
The energy band gaps of the alloy InAsxSbyP1−x−y are calculated using the correlated function expansion (CFE) technique over the entire composition space x and y, for which the CFE band gap composition contour for the mid-infrared (MIR) spectral region of 2 (0.62)–5 µm (0.25 eV) is presented. The composition dependence of the valence-band maximum (VBM) is obtained using the universal tight binding (UTB) method, and the corresponding conduction-band minimum (CBM) can be computed from the difference between the band gap and the VBM. By organizing the relative positions of the VBM and CBM between the quaternary alloy InAsSbP and the binary compound InAs, the band alignments and band types of InAsSbP/InAs heterojunctions (HJs) along the lattice-matching conditions x and y [i.e., y = 0.311(1 − x)] are determined. It is found that the VBMs of the alloy InAsxSbyP1−x−y are located within the band gap of InAs, whereas the CBMs of the alloy lie outside the band gap of InAs over the entire composition range. This implies that the InAsxSbyP1−x−y/InAs HJs exhibit composition-tunable, type-II (staggered) band alignments. In addition, the conduction-band offset (CBO) and valence-band offset (VBO) of InAsSbP/InAs HJs both present the upward bowing trend, with the CBO curves appearing sharp and the VBO curves appearing smooth.
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