| Title: | Modeling of the resonant X-ray response of a chiral cubic phase |
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| Authors: | ID Grabovac, Timon (Author)
ID Górecka, Ewa (Author)
ID Pociecha, Damian (Author)
ID Vaupotič, Nataša (Author) |
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| Files: |  Grabovac-2021-Modeling_of_the_Resonant_X-ray_R.pdf (2,18 MB)
MD5: 468A89453C3E5949D3E560F55CDD894C
 https://doi.org/10.3390/cryst11020214
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| Language: | English |
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| Work type: | Scientific work |
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| Typology: | 1.01 - Original Scientific Article |
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| Organization: | FNM - Faculty of Natural Sciences and Mathematics
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| Abstract: | The structure of a continuous-grid chiral cubic phase made of achiral constituent molecules is a hot topic in the field of thermotropic liquid crystals. Several structural models have been proposed so far. Resonant X-ray scattering (RXS), which gives information on the molecular orientation in the unit cell, could be applied to select the most appropriate model. We modeled the RXS response for the recently proposed chiral cubic phase structure with an all-hexagon chiral continuous grid. A tensor form factor of a unit cell is constructed, which enables calculation of intensities of peaks for all Miller indices. We find that all the symmetry allowed peaks are resonantly enhanced, and their intensity is much stronger than the intensity of the symmetry forbidden (resonant) peaks. In particular, we predict that a strong resonant enhancement of the symmetry allowed peaks (011) and (002), not observed in a nonresonant scattering, could be observed by RXS at the carbon absorption edge. By RXS at the sulfur absorption edge, one might observe a resonant peak (113) and resonantly enhanced peak (233), and resonant enhancement of all the peaks that are observed in a nonresonant scattering, which probably hide the rest of the predicted resonant peaks. |
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| Keywords: | chiral cubic phase, resonant X-ray scattering, theoretical modeling, tensor form factor |
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| Publication status: | Published |
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| Publication version: | Version of Record |
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| Submitted for review: | 02.02.2021 |
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| Article acceptance date: | 18.02.2021 |
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| Publication date: | 21.02.2021 |
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| Publisher: | MDPI |
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| Year of publishing: | 2021 |
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| Number of pages: | Str. 1-12 |
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| Numbering: | Letn. 11, Št. 2, št. članka 214 |
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| PID: | 20.500.12556/DKUM-89855  |
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| UDC: | 53 |
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| ISSN on article: | 2073-4352 |
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| COBISS.SI-ID: | 55156483 |
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| DOI: | 10.3390/cryst11020214 |
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| Publication date in DKUM: | 14.08.2024 |
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| Views: | 215 |
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| Downloads: | 16 |
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| Metadata: |    |
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| Categories: | Misc.
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