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April 12, 2026ChemPhysChem0 citations

Ultralow Lattice Thermal Conductivity and Thermoelectric Properties of Layered III–VI Semiconductors

Ultralow Lattice Thermal Conductivity and Distinctive Electronic Features Lead Giant Thermoelectricity in Layered MSe (M = Ga, In, Tl)

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Authors

SVShivani VinodNorth Eastern Regional Institute of Science and TechnologyTCTanu ChoudharyM S Ramaiah University of Applied SciencesRBRaju K. BiswasNorth Eastern Regional Institute of Science and Technology

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Overview

Comparative study reveals TlSe exhibits superior thermoelectric efficiency among III–VI semiconductors, suggesting its potential applications.

Key Points

  • This research aims to compare the thermoelectric properties of layered III–VI semiconductors, particularly focusing on GaSe, InSe, and TlSe.
  • Employs first-principles density functional theory for theoretical modeling.
  • Conducts phonon transport calculations to evaluate thermal and electronic performance.
  • Analyzes structural, mechanical, vibrational, and thermoelectric properties of the three materials.
  • TlSe demonstrates the highest thermoelectric efficiency with a ZT value of 2.89 at 600 K.
  • GaSe shows the highest mechanical stability, while InSe displays ductile behavior.
  • TlSe has the lowest lattice thermal conductivity and superior electrical conductivity, compensating for its lower Seebeck coefficient.
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Cite This Study

Vinod et al. (2026) studied this question.

synapsesocial.com/papers/69db36e64fe01fead37c4d07https://doi.org/10.1002/cphc.202500607
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