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September 10, 2025International Journal of Modern Physics C

Comprehensive investigation of structural, electronic, optical, mechanical and thermoelectric properties of KCu3SnSe4 and RbCu3SnSe4: A density functional theory study

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Authors

TZTaimoor ZahidKBKiran BatoolMSMuhammad Saeed

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Overview

Density functional theory study reveals RbCu3SnSe4 exhibits superior thermoelectric and optical properties, suggesting enhanced applications.

Key Points

  • RbCu3SnSe4 achieves a higher figure of merit (ZT), suggesting better thermoelectric performance.
  • Optical properties show superior absorption and conductivity for RbCu3SnSe4, enhancing its usability in devices.
  • Structural analysis indicates RbCu3SnSe4 is more stable due to its larger ionic radius compared to KCu3SnSe4.
  • Both materials demonstrate ductile behavior, supporting their application in thermoelectric devices.

Cite This Study

Zahid et al. (2025) studied this question.

synapsesocial.com/papers/68c1c32e54b1d3bfb60f145ehttps://doi.org/10.1142/s0129183125501591
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Also Consider

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