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September 28, 2025

Insight into novel ErMI (M = S, Se) chalcohalide materials for next-generation energy applications.

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Authors

MAMohannad Al‐HmoudBGBanat GulMKMuhammad Salman Khan

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Overview

First-principles analysis reveals strong thermoelectric properties in chalcohalides ErSI and ErSeI, indicating promising energy applications.

Key Points

  • ErSI and ErSeI show n-type behavior, with ErSI having a slightly larger figure of merit due to a superior power factor.
  • Both materials are spin-polarized direct band gap semiconductors, exhibiting significant exchange splitting and localization characteristics.
  • Mechanical studies indicate both compounds have equivalent ductility, while ErSeI shows a slight advantage in elastic moduli and resilience.
  • Optical properties reveal substantial UV-visible absorption, suggesting potential for use in optoelectronic applications.

Cite This Study

Al‐Hmoud et al. (2025) studied this question.

synapsesocial.com/papers/68d913ab4ddcf71ba560bd53https://doi.org/10.1039/d5ra05496f
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