A novel investigation of pressure-induced semiconducting to metallic transition of lead free novel Ba3SbI3 perovskite with exceptional optoelectronic properties

Author:

Rahman Md. Ferdous1ORCID,Hasan Toki Md. Naim1ORCID,Irfan Ahmad2,Chaudhry Aijaz Rasool3,Rahaman Rajabur4,Rasheduzzaman Md.4,Hasan Md. Zahid4ORCID

Affiliation:

1. Advanced Energy Materials and Solar Cell Research Laboratory, Department of Electrical and Electronic Engineering, Begum Rokeya University, Rangpur 5400, Bangladesh

2. Department of Chemistry, College of Science, King Khalid University, P. O. Box 9004, Abha 61413, Saudi Arabia

3. Department of Physics, College of Science, University of Bisha, P. O. Box 551, Bisha 61922, Saudi Arabia

4. Department of Electrical and Electronic Engineering, International Islamic University Chittagong, Kumira, Chittagong, 4318, Bangladesh

Abstract

The structural, electronic, mechanical, and optical characteristics of barium-based halide perovskite Ba3SbI3 under the influence of pressures ranging from 0 to 10 GPa have been analyzed using first-principles calculations for the first time.

Funder

Deanship of Scientific Research, King Khalid University

University of Bisha

Publisher

Royal Society of Chemistry (RSC)

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