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cond-mat.mtrl-sci2021
Probing the Disorder inside the Cubic Unit Cell of Halide Perovskites from First-Principles
Xiangzhou Zhu, Sebastián Caicedo-Dávila, Christian Gehrmann +1
Strong deviations in the finite temperature atomic structure of halide perovskites from their average geometry can have profound impacts on optoelectronic and other device-relevant…
cond-mat.mtrl-sci2021
Transversal Halide Motion Intensifies Band-To-Band Transitions in Halide Perovskites
Christian Gehrmann, Sebastián Caicedo-Dávila, Xiangzhou Zhu +1
Despite their puzzling vibrational characteristics that include strong signatures of anharmonicity and thermal disorder already around room temperature, halide perovskites exhibit…