Heat capacity and structural transition effect in polycrystalline kesterite†

IF 5.7 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Journal of Materials Chemistry C Pub Date : 2024-10-08 DOI:10.1039/D4TC02105C
Cédric Bourgès, Andrei Novitskii, Makoto Tachibana, Naoki Sato and Takao Mori
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Abstract

As a crucial parameter in the determination of thermal conductivity, the heat capacity of Cu2+xZn1−xSnS4 (CZTS) has been investigated and analyzed in detail from 2 to 773 K. The effects of the Cu–Zn stoichiometric ratio and phase transition have been quantified and correlated with entropy variation. We confirm that the compounds follow the Dulong–Petit approximation above the Debye temperature θD and solve literature discrepancies on CZTS. The in-depth low-temperature heat capacity analysis revealed an approximate image of the energy dependence of the phonon density of state in kesterite, which agrees with the results of first-principles calculations.

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多晶钾长石的热容量和结构转变效应
作为确定热导率的关键参数,我们研究并详细分析了 Cu2+xZn1-xSnS4 (CZTS) 在 2 至 773 K 的热容量。我们证实这些化合物在德拜温度θD 以上遵循杜隆-佩蒂特近似,并解决了文献中关于 CZTS 的差异。深入的低温热容分析揭示了凯斯特石中声子态密度的能量依赖性近似图像,这与第一原理计算的结果一致。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Journal of Materials Chemistry C
Journal of Materials Chemistry C MATERIALS SCIENCE, MULTIDISCIPLINARY-PHYSICS, APPLIED
CiteScore
10.80
自引率
6.20%
发文量
1468
期刊介绍: The Journal of Materials Chemistry is divided into three distinct sections, A, B, and C, each catering to specific applications of the materials under study: Journal of Materials Chemistry A focuses primarily on materials intended for applications in energy and sustainability. Journal of Materials Chemistry B specializes in materials designed for applications in biology and medicine. Journal of Materials Chemistry C is dedicated to materials suitable for applications in optical, magnetic, and electronic devices. Example topic areas within the scope of Journal of Materials Chemistry C are listed below. This list is neither exhaustive nor exclusive. Bioelectronics Conductors Detectors Dielectrics Displays Ferroelectrics Lasers LEDs Lighting Liquid crystals Memory Metamaterials Multiferroics Photonics Photovoltaics Semiconductors Sensors Single molecule conductors Spintronics Superconductors Thermoelectrics Topological insulators Transistors
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Back cover Inside back cover Back cover Heat capacity and structural transition effect in polycrystalline kesterite† A special collection honoring Professor Thom Palstra, an exceptional scientist, leader and mentor
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