Band-gap corrected density functional theory calculations for InAs/GaSb type II superlattices
Abstract
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.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Dec 01, 2014
- Source ID
- 10.1063/1.4903063
Entities
People
- Jianwei Wang
- Yong Zhang
Organizations
- Army Research Office
- University of North Carolina at Charlotte