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Title: Band-gap corrected density functional theory calculations for InAs/GaSb type II superlattices

We performed pseudopotential based density functional theory (DFT) calculations for GaSb/InAs type II superlattices (T2SLs), with bandgap errors from the local density approximation mitigated by applying an empirical method to correct the bulk bandgaps. Specifically, this work (1) compared the calculated bandgaps with experimental data and non-self-consistent atomistic methods; (2) calculated the T2SL band structures with varying structural parameters; (3) investigated the interfacial effects associated with the no-common-atom heterostructure; and (4) studied the strain effect due to lattice mismatch between the two components. This work demonstrates the feasibility of applying the DFT method to more exotic heterostructures and defect problems related to this material system.
Authors:
;  [1]
  1. Department of Electrical and Computer Engineering, The University of North Carolina at Charlotte, 9201 University City Boulevard, Charlotte, North Carolina 28223 (United States)
Publication Date:
OSTI Identifier:
22402734
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 116; Journal Issue: 21; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; COMPARATIVE EVALUATIONS; CRYSTAL DEFECTS; DENSITY FUNCTIONAL METHOD; ERRORS; GALLIUM ANTIMONIDES; INDIUM ARSENIDES; POTENTIALS; STRAINS; SUPERLATTICES