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
Language
en
Article de revue
This item was published in
Physica B: Condensed Matter. 2010, vol. 405, n° 3, p. 985-989
Elsevier
English Abstract
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 ...Read more >
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.Read less <
English Keywords
DFT
FP-LAPW
Wide gap semiconductors
Dielectric function
Refractive index
Hydrostatic pressure
Origin
Hal imported