First principles study on the structural stability, mechanical stability and optoelectronic properties of alkali-based single halide perovskite compounds XMgI3 (X = Li/Na): DFT insight

Author:

Guji Kefyalew Wagari1,Geleta Tesfaye Abebe2ORCID,Bouri Nabil3,Ramirez Rivera Victor José4

Affiliation:

1. Physics Department, Bule Hora University, P. O. BOX 144, Bule Hora, Ethiopia

2. Department of Agricultural Chemistry, National Taiwan University, Taipei, 10617, Taiwan

3. Laboratory of Materials Physics and Subatomic, Faculty of Science, University Ibn Tofail, BP. 133, 14000, Kénitra, Morocco

4. Department of Physics, Jorge Basadre Grohmann National University, Tacna, Peru

Abstract

Metal-halide perovskites are recognized as cutting-edge solar energy technology, boasting remarkable absorption capabilities, minimal environmental impact, and cost-effectiveness.

Publisher

Royal Society of Chemistry (RSC)

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