Neutron powder diffraction study of the phase transitions in deuterated methylammonium lead iodide
dc.contributor.author | Liu, J | |
dc.contributor.author | Du, J | |
dc.contributor.author | Phillips, AE | |
dc.contributor.author | Wyatt, PB | |
dc.contributor.author | Keen, DA | |
dc.contributor.author | Dove, MT | |
dc.date.accessioned | 2023-11-28T14:05:13Z | |
dc.date.available | 2022-01-12 | |
dc.date.available | 2023-11-28T14:05:13Z | |
dc.date.issued | 2022 | |
dc.identifier.issn | 0953-8984 | |
dc.identifier.other | ARTN 145401 | |
dc.identifier.uri | https://qmro.qmul.ac.uk/xmlui/handle/123456789/92321 | |
dc.description.abstract | We report the results of a neutron powder diffraction study of the phase transitions in deuterated methylammonium lead iodide, with a focus on the system of orientational distortions of the framework of PbI6 octahedra. The results are analysed in terms of symmetry-adapted lattice strains and normal mode distortions. The higher-temperature cubic–tetragonal phase transition at 327 K is weakly discontinuous and nearly tricritical. The variations of rotation angles and spontaneous strains with temperature are consistent with a standard Landau theory treatment. The lower-temperature transition to the orthorhombic phase at 165 K is discontinuous, with two systems of octahedral rotations and internal distortions that together can be described by 5 order parameters of different symmetry. In this paper we quantify the various symmetry-breaking distortions and their variation with temperature, together with their relationship to the spontaneous strains, within the formalism of Landau theory. A number of curious results in the low-temperature phase are identified, particularly regarding distortion amplitudes that decrease rather than increase with lowering temperature. | en_US |
dc.publisher | IOP Publishing Ltd | en_US |
dc.relation.ispartof | JOURNAL OF PHYSICS-CONDENSED MATTER | |
dc.rights | This item is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. | |
dc.rights | Attribution 3.0 United States | * |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/us/ | * |
dc.subject | hybrid perovskites | en_US |
dc.subject | Landau theory | en_US |
dc.subject | neutron diffraction | en_US |
dc.subject | spontaneous strain | en_US |
dc.subject | phase transitions | en_US |
dc.title | Neutron powder diffraction study of the phase transitions in deuterated methylammonium lead iodide | en_US |
dc.type | Article | en_US |
dc.rights.holder | © 2022 The Author(s). Published by IOP Publishing Ltd | |
dc.identifier.doi | 10.1088/1361-648X/ac4aa9 | |
pubs.author-url | https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000775206500001&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=612ae0d773dcbdba3046f6df545e9f6a | en_US |
pubs.issue | 14 | en_US |
pubs.notes | Not known | en_US |
pubs.publication-status | Published | en_US |
pubs.volume | 34 | en_US |
rioxxterms.funder | Default funder | en_US |
rioxxterms.identifier.project | Default project | en_US |
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Except where otherwise noted, this item's license is described as This item is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.