https://doi.org/10.1140/epjb/e2006-00187-8
Effect of nitrogen concentration on the electronic and vibrational properties of zinc-blende InNxP1-x(x < 0.01)
1
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
Corresponding authors: a mourad_fsm@yahoo.fr - b moncef_said@yahoo.fr
Received:
20
August
2005
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
