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Optoelectronic and thermomechanical characterization of stress-induced stability in cubic KCdF3 perovskite for advanced applications

M. RIAZ1, M. ZEESHAN2, M. USMAN MUSHTAQ3, M. UMER FAROOQ2, M. SANA ULLAH SAHAR4, M. IJAZ KHAN2,* , ABDULLAH A. ALGETHAM5, HAFIZ T. ALI5

Affiliation

  1. Institute of Physics, The Islamia University of Bahawalpur, 63100, Pakistan
  2. Institute of Mechanical and Manufacturing Engineering, Khwaja Fareed UEIT, Rahim Yar Khan, 64200, Pakistan
  3. Department of Mechanical Engineering, KFUPM, Saudi Arabia
  4. Department of Mechanical, Industrial and Energy System, University of Sargodha, Sargodha - 40100, Pakistan
  5. Department of Mechanical Engineering, College of Engineering, Taif University, P.O. Box 11099, Taif, Saudi Arabia

Abstract

Halide perovskites possess excellent potential for optoelectronic applications due to their unique properties. This study explores the pressure tolerance of cubic KCdF3 halide perovskite. Using density functional theory (DFT) calculations, we have investigated its physical and thermodynamic characteristics under varying pressure conditions (0-100 GPa). The results have indicated its structural integrity under pressure (up to 40 GPa), accompanied by a reduction in lattice parameters. Pressure application resulted in a narrowed band gap, heightened absorption, and increased conductivity. These observations, together with high-temperature stability inferred from phonon dispersion analysis, position KCdF3 as a viable contender for future optoelectronic devices..

Keywords

High-pressure, Electronic structure, Optical characteristics, Thermo-mechanical properties, KCdF3 perovskites properties.

Submitted at: May 19, 2024
Accepted at: Oct. 7, 2024

Citation

M. RIAZ, M. ZEESHAN, M. USMAN MUSHTAQ, M. UMER FAROOQ, M. SANA ULLAH SAHAR, M. IJAZ KHAN, ABDULLAH A. ALGETHAM, HAFIZ T. ALI, Optoelectronic and thermomechanical characterization of stress-induced stability in cubic KCdF3 perovskite for advanced applications, Journal of Optoelectronics and Advanced Materials Vol. 26, Iss. 9-10, pp. 388-398 (2024)