Investigation of the band gaps and bowing parameter of ${\mathrm{InAs}}_{1\ensuremath{-}x}{\mathrm{Sb}}_{x}$ alloys using the modified Becke-Johnson potential

Investigation of the band gaps and bowing parameter of ${InAs}_{1 - x} {Sb}_{x}$ alloys using the modified Becke-Johnson potential

Alexandros Kyrtsos, Masahiko Matsubara, and Enrico Bellotti

Phys. Rev. Materials 4, 014603 – Published 8 January 2020

Abstract

The band gaps and structural properties of ${InAs}_{1 - x} {Sb}_{x}$ alloys are investigated using both the modified Becke-Johnson exchange potential and hybrid functional calculations. A good agreement between the two approaches is observed for the alloys. The estimated value of $0.85 eV$ for the bowing parameter enables the use of $InAsSb$ in long wavelength infrared (LWIR) applications. Furthermore, a lower limit of $0.29 eV$ for the bowing parameter is obtained for the structures yielding the largest band gaps, demonstrating the strong nonlinearity of the band gap versus the composition for this system.

Received 4 September 2019
Revised 10 December 2019

DOI:https://doi.org/10.1103/PhysRevMaterials.4.014603

Physics Subject Headings (PhySH)

Band gap Composition First-principles calculations

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Alexandros Kyrtsos ^1,*, Masahiko Matsubara¹, and Enrico Bellotti^1,2

¹Department of Electrical and Computer Engineering, Boston University, Boston, Massachusetts 02215, USA
²Division of Materials Science and Engineering, Boston University, Boston, Massachusetts 02215, USA