Effect of nitrogen concentration on the electronic and vibrational properties of zinc-blende InNxP1-x(x < 0.01)
Unité de Physique des Solides, Faculté des Sciences de Monastir, Boulevard de l'Environnement, 5019 Monastir, Tunisia
2 Department of Physics, Faculty of Science, King Khalid University, P.O. Box 9004, Abha, Saudi Arabia
Revised: 6 February 2006
Published online: 31 May 2006
Taking into account the recent advances in the epitaxial growth of single-crystal InN leading to a drastic re-evaluation of its fundamental energy band gap, we have studied the electronic properties of InNxP1-x (x < 0.01) ternary alloy. Using the empirical pseudopotential method under the virtual crystal approximation, combined with the Harrison bond orbital model, the band gap at Γ, X and L points, the effective masses of the Γ valley and the electronic charge densities are calculated as a function of nitrogen composition. The fitted expressions of the energy band gaps indicate that the bowing parameter at Γ reached a broad value for very low nitrogen incorporation (). Furthermore, the band gap at Γ point decreases drastically with increasing nitrogen composition up to 1%. The elastic constants and the optical phonon frequencies are also reported. Our theoretical results provide a good agreement with the available data.
PACS: 71.20.Nr – Semiconductor compounds / 71.15.-m – Methods of electronic structure calculations / 71.15.Dx – Computational methodology
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2006