Molecular dynamics growth modeling of InAs1−xSbx-based type-II superlattice

Anthony J. Ciani; Christoph H. Grein; Barry Irick; Maosheng Miao; Nicholas Kioussis

doi:10.1117/1.OE.56.9.091609

24 March 2017 Molecular dynamics growth modeling of InAs_1−xSb_x-based type-II superlattice

Anthony J. Ciani, Christoph H. Grein, Barry Irick, Maosheng Miao, Nicholas Kioussis

Author Affiliations +

Optical Engineering, Vol. 56, Issue 9, 091609 (March 2017). https://doi.org/10.1117/1.OE.56.9.091609

Abstract

Type-II strained-layer superlattices (T2SL) based on InAs1−xSbx are a promising photovoltaic detector material technology for thermal imaging; however, Shockley–Read–Hall recombination and generation rates are still too high for thermal imagers based on InAs1−xSbx T2SL to reach their ideal performance. Molecular dynamics simulations using the Stillinger–Weber (SW) empirical potentials are a useful tool to study the growth of tetrahedral coordinated crystals and the nonequilibrium formation of defects within them, including the long-range effects of strain. SW potentials for the possible atomic interactions among {Ga, In, As, Sb} were developed by fitting to ab initio calculations of elastically distorted zinc blende and diamond unit cells. The SW potentials were tested against experimental observations of molecular beam epitaxial (MBE) growth and then used to simulate the MBE growth of InAs/InAs0.5Sb0.5 T2SL on GaSb substrates over a range of processes parameters. The simulations showed and helped to explain Sb cross-incorporation into the InAs T2SL layers, Sb segregation within the InAsSb layers, and identified medium-range defect clusters involving interstitials and their induction of interstitial-vacancy pairs. Defect formation was also found to be affected by growth temperature and flux stoichiometry.

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Anthony J. Ciani, Christoph H. Grein, Barry Irick, Maosheng Miao, and Nicholas Kioussis "Molecular dynamics growth modeling of InAs_1−xSb_x-based type-II superlattice," Optical Engineering 56(9), 091609 (24 March 2017). https://doi.org/10.1117/1.OE.56.9.091609

Received: 1 November 2016; Accepted: 3 March 2017; Published: 24 March 2017

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