Svetlana S Sharaya, Nikita E Bogdanov, Boris A Zakharov, Elena V Boldyreva
{"title":"High-pressure and low-temperature behaviour of organic ferroelectric (R)-3-quinuclidinol.","authors":"Svetlana S Sharaya, Nikita E Bogdanov, Boris A Zakharov, Elena V Boldyreva","doi":"10.1107/S2052520624012010","DOIUrl":null,"url":null,"abstract":"<p><p>High-pressure and low-temperature structural changes in the ferroelectric phase of (R)-3-quinuclidinol are analysed. The changes in unit-cell volume and parameters are continuous both on cooling and under increasing pressure. The anisotropy of the structural strain, however, is found to be different. At high pressures, the shortest possible distances for H...H contacts are achieved. Since the deformation along the polarization axis can be related to spontaneous polarization, different piezoelectric responses may be expected on cooling and under hydrostatic compression.</p>","PeriodicalId":7320,"journal":{"name":"Acta crystallographica Section B, Structural science, crystal engineering and materials","volume":" ","pages":"104-113"},"PeriodicalIF":1.3000,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta crystallographica Section B, Structural science, crystal engineering and materials","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1107/S2052520624012010","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/1/22 0:00:00","PubModel":"Epub","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
High-pressure and low-temperature structural changes in the ferroelectric phase of (R)-3-quinuclidinol are analysed. The changes in unit-cell volume and parameters are continuous both on cooling and under increasing pressure. The anisotropy of the structural strain, however, is found to be different. At high pressures, the shortest possible distances for H...H contacts are achieved. Since the deformation along the polarization axis can be related to spontaneous polarization, different piezoelectric responses may be expected on cooling and under hydrostatic compression.
期刊介绍:
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.