Stabilizing Polar Domains in MAPbBr3 via the Hydrostatic Pressure-Induced Liquid Crystal-like Transition

Pressure-induced phases of MAPbBr3 were investigated at room temperature in the range of 0–2.8 GPa by ab initio molecular dynamics. Two structural transitions at 0.7 GPa (cubic → cubic) and 1.1 GPa (cubic → tetragonal) involved both the inorganic host (lead bromide) and the organic guest (MA). MA di...

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Veröffentlicht in:	The journal of physical chemistry letters 2023-06, Vol.14 (24), p.5497-5504
Hauptverfasser:	Maity, Sayan, Verma, Suraj, Ramaniah, Lavanya M., Srinivasan, Varadharajan
Format:	Artikel
Sprache:	eng
Schlagworte:	Physical Insights into Materials and Molecular Properties
Online-Zugang:	Volltext
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