Giant and composition-dependent optical band gap bowing in dilute GaSb1− xNx alloys

A Belabbes, M Ferhat, A Zaoui - Applied physics letters, 2006 - pubs.aip.org
Ab initio pseudopotential plane wave calculations and large 64-atom relaxed supercells are
used to investigate the structural and electronic properties of Ga N x Sb 1− x dilute alloys.
While the band gaps of conventional III-V semiconductors have a simple and weak
dependence on composition, this work illustrate a violation of this expected behavior. We
show that the band gap decreases rapidly with increasing compositions of N and that Ga N x
Sb 1− x show an abnormal giant gap reduction. As a consequence, the optical band gap …
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