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<p>Under the virtual crystal approximation (VCA), the pseudopotential approach (EPM) has been applied to our calculations. The lattice vibrational, electronic, and optical properties of GaAs<sub>1-x</sub>P<sub>x</sub> alloy for fixed values of temperature are calculated and their dependence on the GaP concentration is examined. The used technique represents the first theoretical predictions for compositions x in the range 0–1, whereas our results for GaAs (x=0) and GaP (x=1) are generally in reasonable accord with the known data in the literature. Our findings showed the transition from direct to indirect energy band gap at various temperatures for the GaAs<sub>1-x</sub>P<sub>x</sub> alloy and the results may help us understand the heat dissipation in computer chips and thermoelectric devices.</p>

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Impact of composition on lattice vibrational, electronic and optical properties of GaAs1-xPx alloys for different temperatures

  • 期刊论文

  • 发表日期：

    2026年1月5日

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  • Elkenany Brens Elkenany,
  • Hasan B Albargi,
  • R Dhahri,
  • A M Al-Syadi,
  • M Abdelgaber,
  • Mofida Zaki

摘要

Under the virtual crystal approximation (VCA), the pseudopotential approach (EPM) has been applied to our calculations. The lattice vibrational, electronic, and optical properties of GaAs1-xPx alloy for fixed values of temperature are calculated and their dependence on the GaP concentration is examined. The used technique represents the first theoretical predictions for compositions x in the range 0–1, whereas our results for GaAs (x=0) and GaP (x=1) are generally in reasonable accord with the known data in the literature. Our findings showed the transition from direct to indirect energy band gap at various temperatures for the GaAs1-xPx alloy and the results may help us understand the heat dissipation in computer chips and thermoelectric devices.