First-principles calculations of the structural, electronic and optical properties of cubic BxGa1−xAs alloys

Guemou, M.; Bouhafs, B.; Abdiche, A.; Khenata, R.; Douri, Y. Al; Omran, S. Bin

doi:10.1016/j.physb.2012.01.132

Cited by 21 publications

(10 citation statements)

References 33 publications

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“…1 and 2 we observe that the lattice constant increases when decreasing the composition x and the bulk modulus decreases with decreasing the composition x. Results obtained in our calculations agree well with other available works [6][7][8][9][10]12,14]. Focusing now, on the structural properties of the quaternary B x Ga 1 À x As 1 À y N y and taking in our knowledge that no theoretical reports have been made on this material, we hope that this paper present a base and a prediction for the future investigations.…”

Section: Structural Propertiessupporting

confidence: 91%

“…The ternary alloys based on boron and nitride compounds such as the BGaN [6][7][8], BGaAs [9][10], BAlN [11], BNAs [12], BInN [13], GaAsN [14] InGaN, InAlN, GaAlN [15] are the most studied alloys using various calculation methods based on the density functional theory (DFT). To the best of our knowledge, there are no theoretical reports on the structural and electronic properties of the quaternary B x Ga 1 À x As 1 À y N y alloys.…”

Section: Introductionmentioning

confidence: 99%

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First principle study of structural and electronic properties of cubic quaternary BxGa1−xAs1−yNy alloys

Abdiche

Riane

Guemou

et al. 2015

Solid State Communications

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Section: Structural Propertiessupporting

confidence: 91%

Section: Introductionmentioning

confidence: 99%

First principle study of structural and electronic properties of cubic quaternary BxGa1−xAs1−yNy alloys

Abdiche

Riane

Guemou

et al. 2015

Solid State Communications

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“…So, except for the phononassisted indirect absorption process, we also explore the way to improve the one-order absorption process in visible range. Consider that the doping of congeners has been successfully used to improve the performance of III-V semiconductor [24][25][26], we systematically investigate the doping effect of congeners on the optical absorption. And the calculations about doping effect do not refer the electron-phonon coupling.…”

Section: A Phonon-assisted Optical Absorptionsmentioning

confidence: 99%

“…Moreover, the executable methods are also necessary to improve the absorptions process in visible range. Some common methods, such as pressure [22,23] and doping [24][25][26], can influence the electronic structure and change the physical properties, so may also improve the one-order absorption process in the visible range.…”

Section: Introductionmentioning

confidence: 99%

Direct and indirect optical absorptions of cubic BAs and BSb

Wan

Guo

et al. 2019

Opt. Express

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Recently, boron arsenide (BAs) has been measured high thermal conductivity in the experiments, great encouraging for the low-power photoelectric devices. Therefore, in the present work, we have systematically investigated the direct and indirect optical absorptions of BAs and BSb and the doping effect of congeners by using first-principles calculations. We obtain the absorption onset corresponding to the value of indirect bandgap by considering the phonon-assisted second-order optical absorptions. And the redshift of absorption onset, enhancement and smoothness of optical absorptions spectra are also captured in the temperature-dependent calculations. In order to introduce one-order absorptions into the visible range, the doping effect of congeners on optical absorptions is studied without the assists of phonon. It is found that the decrease of local direct bandgap after doping derives from either the small bandgap in the prototypical III-V semiconductors or CBM locating at Rc point. Thus, doping of congeners can improve the direct optical absorptions in visible range.

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“…The refractive index (n) is a key dimensionless parameter for photonic applications that describes how fast light propagates through the material, but was unknown for BAs so far. Theoretical refractive indexes of BAs appearing in recent literature have different values, possibly due to variations in pseudopotentials 28,30,32 or empirical relationships 33 . Here, we directly measured n by Fabry-Perot interference.…”

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confidence: 99%

Basic physical properties of cubic boron arsenide

Kang

et al. 2019

Applied Physics Letters

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Cubic boron arsenide (BAs) is an emerging semiconductor material with a record-high thermal conductivity subject to intensive research interest for its applications in electronics thermal management. However, many fundamental properties of BAs remain unexplored experimentally since high-quality BAs single crystals have only been obtained very recently. Here, we report the systematic experimental measurements of important physical properties of BAs, including the band gap, optical refractive index, elastic modulus, shear modulus, Poisson's ratio, thermal expansion coefficient, and heat capacity. In particular, light absorption and Fabry-Perot interference were used to measure an optical band gap of 1.82 eV and a refractive index of 3.29 (657 nm) at room temperature.A picoultrasonics method, based on ultrafast optical pump probe spectroscopy, was used to measure a high elastic modulus of 326 GPa, which is twice that of silicon. Furthermore, temperature-dependent X-ray diffraction was used to measure a linear thermal expansion coefficient of 3.85 × 10 -6 K -1 ; this value is very close to prototyped semiconductors such as GaN, which underscores the promise of BAs for cooling high power and high frequency electronics. We also performed ab initio theory calculations and observed good agreement between the experimental and theoretical results. Importantly, this work aims to build a database (Table 1) for the basic physical properties of BAs with the expectation that this semiconductor will inspire broad research and applications in electronics, photonics, and mechanics.

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First-principles calculations of the structural, electronic and optical properties of cubic BxGa1−xAs alloys

Cited by 21 publications

References 33 publications

First principle study of structural and electronic properties of cubic quaternary BxGa1−xAs1−yNy alloys

First principle study of structural and electronic properties of cubic quaternary BxGa1−xAs1−yNy alloys

Direct and indirect optical absorptions of cubic BAs and BSb

Basic physical properties of cubic boron arsenide

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