DataVXJournal of Ovonic ResearchPaper
journal article·2024-10Open access

DFT study of elastic and thermodynamic properties of solar material Cu2ZnSnS4

School of Materials Science and Engineering, Yancheng Institute of Technology, Yancheng, 224051, China, S. H. Fan, H. J. Hou, School of Materials Science and Engineering, Yancheng Institute of Technology, Yancheng, 224051, China, H. L. Guo, College of Electronic and Information Engineering, Yangtze Normal University, Fuling, 408000, Chongqing, China

Journal of Ovonic Research· Volume 20· Issue 5
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Abstract

In this study, the mechanical characteristics of Cu2ZnSnS4 are investigated under varying pressures. The correlations between pressure and elastic constants Cij, bulk modulus B, shear modulus G, and Young's modulus E, are obtained. The thermal properties of Cu2ZnSnS4 were studied, including Debye temperature θ, heat capacity CV and CP, thermal expansion coefficient α, Grüneisen constant γ and entropy S at temperatures (0, 200, 400, 600, 800, 1000, 1200K) and pressures (0, 2, 4, 6, 8, 10 GPa), are also obtained and analyzed.
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OpenAlex topics: Chalcogenide Semiconductor Thin Films · Material Science and Thermodynamics · Chemical Thermodynamics and Molecular Structure

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