First-principles calculations to investigate pressure-driven electronic phase transition of lead-free halide perovskites KMCl3 (M = Ge, Sn) for superior optoelectronic performance

This article investigates the physical properties of lead-free tin- and germanium-based halide perovskites under pressure via the density functional theory to use as potential photovoltaic materials. Specifically, the structural, electronic, optical, and mechanical properties of KMCl3 (M = Ge, Sn) u...

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Bibliographic Details

Published in:	Results in Physics
Main Authors:	Ovijit Das, Md Saiduzzaman, Khandaker Monower Hossain, Ismile Khan Shuvo, Mohammad Mizanur Rahman, Sohail Ahmad, S.K. Mitro
Format:	Article
Language:	English
Published:	Elsevier 2023-01-01
Subjects:	Lead-free halide perovskite DFT calculations Band gap engineering Optical functions Mechanical behavior
Online Access:	http://www.sciencedirect.com/science/article/pii/S2211379723000050