Unveiling the Potential of Double Perovskite Halides Rb2CuSbH6 (H = Cl, Br, I) for Flexible Electronics: An Integrated Study of Structural, Mechanical, Electrical and Optical Properties

  • Krishna Kumar Mishra Chitkara University Institute of Engineering and Technology, Chitkara University, Rajpura, Punjab, India https://orcid.org/0000-0001-6888-7654
  • Sonia Chahar Chitkara University Institute of Engineering and Technology, Chitkara University, Rajpura, Punjab, India https://orcid.org/0000-0001-5250-5228
  • Rajnish Sharma School of Engineering and Technology, Chitkara University, Solan, Himachal Pradesh-174103, India https://orcid.org/0000-0001-8644-016X
DOI: https://doi.org/10.26565/2312-4334-2024-4-40
Keywords: Perovskite, QuantumATK, DFT, Optical Properties, Electronic structure, Mechanical properties

Abstract

The structural, mechanical, electrical and optical properties of double perovskite halides like Rb2CuSbH6 (where H = Cl, Br, and I) for flexible electronic devices are fascinating and complex. Extensive literature survey clearly establishes that there has been limited research on analyzing the potential uses of these materials for the highly sought-after sector of flexible electronic devices. In this paper, focused studies have been carried out on investigating the characteristics of these materials using QuantumATK NanoLab Software Tool. All double perovskite halides Rb2CuSbH6 (H = Cl, Br, I) show positive values for the elastic constants C11, C12, and C44, and obey the stability trend C11>C12>C44. Mechanical stability was established using Born-Huang criteria. Optimized values of Young's modulus, bulk modulus, shear modulus and Poisson ratios established that materials are stable and ductile in nature. While carrying out analysis of electronic properties, all three materials Rb2CuSbCl6, Rb2CuSbBr6, and Rb2CuSbI6 were found to be possessing indirect energy bandgap of 0.924 eV, 0.560 eV, and 0.157 eV, respectively. Moreover, the Complex Bandstructure (CB) naturality indicates that most evanescent wave may exist when layer separation is lowest in Rb2CuSbCl6 (6.0 Å), Rb2CuSbBr6 (6.33 Å), and highest in Rb2CuSbI6 (6.8 Å). Absorption bands for Rb2CuSbCl6, Rb2CuSbBr6 and Rb2CuSbI6 lie in the visible range with 344 nm to 574 nm, 348 nm to 688 nm and 369 nm to 608 nm respectively. The reflectivity (r) reported under this study is 0.105, 0.139 and 0.185 respectively for Rb2CuSbCl6, Rb2CuSbBr6 and Rb2CuSbI6. Overall, all the obtained results implicate toward need to explore the Rb2CuSbH6 materials in more depth for variety of electronic device applications.

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Author Biography

Rajnish Sharma, School of Engineering and Technology, Chitkara University, Solan, Himachal Pradesh-174103, India

Dr. Rajnish Sharma is the Vice Chancellor of Chitkara University – Himachal Pradesh. Formerly the Pro Vice-Chancellor (Academic Affairs) at Chitkara University, Punjab, he played a pivotal role in aligning academic systems with the National Education Policy 2020. With a PhD in Electronic Science, he has authored nearly 100 Scopus indexed papers, a book, and holds over 10 patents, showcasing his commitment to pushing the boundaries of knowledge in RF Microelectronics and next-generation technologies.

As an IEEE senior member, Dr. Sharma actively participates in conferences, contributing to disseminating cutting-edge research in his field. His engagement is not confined to academic circles; he also serves on NAAC panels, playing a crucial role in maintaining and enhancing educational standards.

Dr. Sharma’s global exposure through visits to the USA, China, the UK, and more has enriched his perspectives and contributed to his diverse research interests. This international engagement has not only broadened his academic horizons but has also fostered collaborations with scholars and institutions worldwide.

Currently, as the Organising Chair for the IEEE R10 conference TENSYMP 2024, Dr. Sharma continues to lead and excel in both academic and leadership capacities. His commitment to advancing education, coupled with his extensive research contributions, positions him as a key figure in the higher education landscape, contributing to the growth and development of Chitkara University.

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Published
2024-12-08
Cited
How to Cite
Mishra, K. K., Chahar, S., & Sharma, R. (2024). Unveiling the Potential of Double Perovskite Halides Rb2CuSbH6 (H = Cl, Br, I) for Flexible Electronics: An Integrated Study of Structural, Mechanical, Electrical and Optical Properties. East European Journal of Physics, (4), 349-359. https://doi.org/10.26565/2312-4334-2024-4-40
Issue
No. 4 (2024): East European Journal of Physics
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Original Papers

Copyright (c) 2024 Krishna Kumar Mishra, Sonia Chahar, Rajnish Sharma

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