First-principles calculations of the structural, electronic, optical and thermal properties of the BNxAs1–xalloys

Hamioud, L.; Boumaza, A.; Touam, S.; Meradji, H.; Ghémid, S.; Hassan, F. El Haj; Khenata, R.; Omran, S. Bin

doi:10.1080/14786435.2016.1177669

Cited by 7 publications

(1 citation statement)

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“…(2) the experimental energy gap Eg = 1.46 eV reported by Chu and Hyslop [12,13] of thin film BAs material, the predicted value of the refractive index was found to be 3.11. It is very important to note that several authors [14][15][16][17] have quoted that BAs material has an indirect optical energy gap (Eg = 0.67 eV), and they have mentioned also that this later value was obtained by Bross and Bader [18]. This is not true, because the authors of Ref.…”

Section: Optical Propertiesmentioning

confidence: 75%

Correlation study of optical, mechanical and thermal properties of BAs material and its experimental energy gap

Daoud

2017

IJPR

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The object of this work is to study the correction between the optical, mechanical and thermal properties of boron arsenide (BAs) material and its experimental optical energy gap. The index of refraction, the high-frequency dielectric constant, the optical electronegativity, the bulk modulus, the micro-hardness, the plasmon energy, the Debye temperature, the melting temperature and the electronic polarizability of BAs were estimated from its energy gap. The results obtained are analyzed in comparison with available experimental and other theoretical data. My obtained results of the reflective index and the dielectric constant agree well with other theoretical data; whereas the bulk modulus, the microhardness, the Debye temperature, and the melting temperature are slightly lower than the experimental and other theoretical data. The electronic polarizability is slightly different than other theoretical ones from the literature.

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