Abstract
A semi-empirical tight-binding calculation of the electronic structure of GaP 1− x N x ordered alloys ( x = 0.25, 0.5, and 0.75) has been performed. It is found that the bowing parameter of the band gap is extremely large (7.6 and 3.2 eV for the Γ- X and the Γ- Γ transitions, respectively). The large bowing parameter explains the experimental band gap reduction with increasing x for x ≤ 0.03 observed by photoluminescence (PL) measurements [S. Miyoshi, H. Yaguchi, K. Onabe, R. Ito and Y. Shiraki, Appl. Phys. Lett. 63, 3506 (1993)]. The large bowing originates from the large valence band (VB) offset between GaP and GaN (3.66 eV by Harrison's rule).
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