Affiliation:
1. Department of Physics, University of Basel, Klingelbergstrasse 82, 4056 Basel, Switzerland
Abstract
Funnel Hopping Monte Carlo simulations of MaPbI3 show that the delta phases which have a lower energy than the perovskite phases are only thermodynamically preferred up to 200 K. This explains the absence of the delta phases in experiments.
Funder
Centro Svizzero di Calcolo Scientifico
Deutsche Forschungsgemeinschaft
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung
Publisher
Royal Society of Chemistry (RSC)
Subject
General Materials Science,Chemistry (miscellaneous)
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