First Principle Investigation of Structural, Electronic and Optical Properties of Quaternary BxInyGa1−x−yN Compounds.

Autor: Larbi, M'hamed, Bentouaf, Ali, Bouazza, Abdelkader, Mbarek, Bouharkat, Aïssa, Brahim
Předmět:
Zdroj: SPIN (2010-3247); Dec2020, Vol. 10 Issue 4, pN.PAG-N.PAG, 11p
Abstrakt: We report on our results obtained on the physical properties of BxInyGa 1 − x − y N quaternary alloys in the zinc-blende phase that are thoroughly considered by the linearized augmented plane wave method, with a full potential within density functional theory, for different concentrations x and y as employed in the Wien2k code. We calculated the structural properties, including lattice constant a 0 and the bulk modulus B. We computed as well the band structures, the dielectric constant and the refractive index of our quaternary alloys compounds. Finally, nonlinear dependence on the compositions x and y are investigated in-depth and still expecting for experimental confirmations. To the best of our knowledge, this is the first theoretical investigation of BxInyGa 1 − x − y N alloy conducted to date. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index