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        Effect of Zn-doping CdTe on the internal and external quantum efficiency: ab initio calculations

        Kadim G.,Masrour R. 한국세라믹학회 2023 한국세라믹학회지 Vol.60 No.6

        The photovoltaic properties depend on the internal (IQE) and external (EQE) quantum efficiency. However, to calculate this quantum efficiency theoretically, we have determined the optical and electronic properties of Cd1−xZnxTe bulk and CdTe thin film. CdTe thin film is immensely interesting narrow band gap semiconductor with high absorption 100 × 104 cm−1 for the visible solar spectrum having promising applications in new-generation electronics and photo-electronic devices. Cd1−xZnxTe bulk is a semiconductor with a narrow bandgap value. The band gap values decrease slightly linearly from 1.708 to 1.642 eV with increase of Zn content. Optical reflectivity and absorption are discussed in detail. The IQE and EQE quantum efficiency of CdTe thin film and Zn doping CdTe bulk are investigated and analyzed. Our results are more consistent with the experimental results.

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        Magnetic, thermoelectric properties and magnetocaloric effect of Pr0.7Ba0.3MnO3 perovskite: experimental, DFT calculation and Monte Carlo simulations

        Masrour R.,Kadim G.,Ellouze M. 한국세라믹학회 2024 한국세라믹학회지 Vol.61 No.3

        The magnetic, electronic, structural, thermoelectric properties and magnetocaloric eff ect of Pr 0.75Ba0.25MnO3 perovskite using, experimental, DFT calculation and Monte Carlo simulations were investigated. The ground state has half-metallic character. Our calculations also show that the Pr 0.75Ba0.25MnO3 has a ferromagnetic behavior. Pr 0.75Ba0.25MnO3 exhibits p-type behavior with dominant holes as the primary carriers, as indicated by its thermoelectric properties. This system exhibits a ferromagnetic–Paramagnetic transition. We have successfully obtained several properties, including magnetization, specifi c heat, variation of specifi c heat, magnetic entropy changes, relative cooling power, and the magnetic hysteresis cycle. For a magnetic fi eld change of 5 T, the maximum value of the magnetic entropy change (∣Δ Smax∣) was approximately 12 J/ kg.K, while the relative cooling power (RCP) reached 126 J/kg. The promising potential of the present system for magnetic refrigeration is evident due to its relatively large values of ∣Δ Smax∣ and RCP. Finally, the thermoelectric properties were given.

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