RIANE, Rabah; ZAOUI, A.; MATAR, Samir F.; ABDICHE, A.

doi:10.1016/j.physb.2009.10.038

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RIANE, Rabah
Modelling and Simulation in Materials Science Laboratory

ZAOUI, A.
Modelling and Simulation in Materials Science Laboratory

MATAR, Samir F.
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

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Physica B: Condensed Matter. 2010, vol. 405, n° 3, p. 985-989

Elsevier

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First principles calculations are used to investigate the effect of hydrostatic pressure on the electronic and optical properties of zinc blende GaN, BN compounds and their B<sub>0.25</sub>Ga<sub>0.75</sub>N alloy. We have applied the augmented plane-wave method with the local density approximation to the density functional theory. The refractive index and its variation with hydrostatic pressure are well described. Index of refraction and its pressure derivative and both imaginary and real parts of the dielectric function are identified in the photon energy range up to 40 eV. Resulting pressure coefficients of the main gap and of the refractive index are found in good agreement with experimental data.< Réduire

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DFT

FP-LAPW

Wide gap semiconductors

Dielectric function

Refractive index

Hydrostatic pressure

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Pressure dependence of electronic and optical properties of Zinc-blende GaN, BN and their B<sub>0.25</sub>Ga<sub>0.75</sub>N alloy

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