Probing the physical properties of M<sub>2</sub>LiCeF<sub>6</sub> (M = Rb and Cs) double perovskite compounds for prospective high-energy applications employing the DFT framework-Reference-Cited by-同舟云学术

Probing the physical properties of M₂LiCeF₆ (M = Rb and Cs) double perovskite compounds for prospective high-energy applications employing the DFT framework

Published:2023 Issue:23 Volume:13 Page:15457-15466
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Rahman Nasir¹^ORCID,Rauf Abdur²³,Husain Mudasser¹,Sfina Nourreddine⁴,Tirth Vineet⁵⁶^ORCID,Sohail Mohammad¹,Khan Rajwali¹,Azzouz-Rached Ahmed⁷^ORCID,Murtaza Ghulam⁸,Khan Abid Ali⁹,Khattak Shaukat Ali¹⁰^ORCID,Khan Aurangzeb¹⁰

Affiliation:

1. Department of Physics, University of Lakki Marwat, 28420, Lakki Marwat, KPK, Pakistan

2. Institute for Advanced Study (IAS), Shenzhen University, Nanhai Avenue, Shenzhen 518060, Guangdong, P. R China

3. College of Physics and Optoelectronics Engineering, Shenzhen University, Shenzhen 518060, Guangdong, P. R China

4. College of Sciences and Arts in Mahayel Asir, Department of Physics, King Khalid University, Abha, Saudi Arabia

5. Mechanical Engineering Department, College of Engineering, King Khalid University, Abha 61421, Kingdom of Saudi Arabia

6. Research Center for Advanced Materials Science (RCAMS), King Khalid University, Guraiger, P.O. Box No. 9004, Abha 61413, Asir, Kingdom of Saudi Arabia

7. Magnetic Materials Laboratory, Faculty of Exact Sciences, Djillali Liabes University of Sidi Bel-Abbes, Algeria

8. Department of Physics, Islamia College University, Peshawar, KPK, Pakistan

9. Department of Chemical Sciences, University of Lakki Marwat, 28420, Lakki Marwat, KPK, Pakistan

10. Department of Physics, Abdul Wali Khan University, Mardan, KPK, Pakistan

Abstract

Herein, the optoelectronic, structural, thermoelectric, and elastic characteristics of M2LiCeF6 (M = Rb and Cs) double perovskite compounds were investigated using ab initio modeling in the DFT framework.

Funder

King Khalid University

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/RA/D3RA01451G

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