K2TlAsX6 (X = Cl, Br) 和 CsPbBr3 半导体化合物的一些物理特性

N. Bioud
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引用次数: 0

摘要

利用 Munir 等人计算的理论单胞参数和弹性常数(材料科学与工程 B 298 (2023) 116830),对 K2TlAsX6(X = Cl、Br)双包晶化合物的一些物理性质进行了预测。在平衡状态下,K2TlAsCl6 和 K2TlAsBr6 材料的德拜温度分别为 193.5 K 和 159.6 K。此外,利用 Junaid Zaidi 等人计算的理论单胞参数和弹性常数(《材料研究快报》,第 9 卷,第 12 期,(2022 年)125501),还预测了在高达 15 GPa 的高应力下铯铅溴化物(CsPbBr3)无机包晶化合物的质量密度、纵向、横向和平均声波速度、声阻抗和德拜温度。据我们所知,文献中没有任何数据可以与我们在 K2TlAsX6 (X = Cl, Br) 和 CsPbBr3 材料的德拜温度方面的发现相比较。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Some physical properties of K2TlAsX6 (X = Cl, Br) and CsPbBr3 semiconducting compounds
Some physical properties of K2TlAsX6 (X = Cl, Br) double perovskite compounds have been predicted using the theoretical unit cell parameters and elastic constants computed by Munir et al. (Materials Science and Engineering B 298 (2023) 116830). At equilibrium the Debye temperatures of K2TlAsCl6 and K2TlAsBr6 materials were found to be 193.5 K and 159.6 K, respectively. Furthermore, the mass density, the longitudinal, transverse and mean acoustic wave speeds, the acoustic impedance and the Debye temperature of Cesium Lead Bromide (CsPbBr3) inorganic perovskite compound under high stress up to 15 GPa have been predicted using the theoretical unit cell parameters and elastic constants computed by Junaid Zaidi et al. (Materials Research Express, Vol. 9, No. 12, (2022) 125501). To the best of our knowledge, there is no any data in the literature that can be compared to the findings we’ve achieved on the Debye temperature of K2TlAsX6 (X = Cl, Br) and CsPbBr3 materials.
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