Fecher, Gerhard H. ; Kübler, Jürgen ; Felser, Claudia (2022)
Chirality in the Solid State: Chiral Crystal Structures in Chiral and Achiral Space Groups.
In: Materials, 2022, 15 (17)
doi: 10.26083/tuprints-00022324
Artikel, Zweitveröffentlichung, Verlagsversion
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Kurzbeschreibung (Abstract)
Chirality depends on particular symmetries. For crystal structures it describes the absence of mirror planes and inversion centers, and in addition to translations, only rotations are allowed as symmetry elements. However, chiral space groups have additional restrictions on the allowed screw rotations as a symmetry element, because they always appear in enantiomorphous pairs. This study classifies and distinguishes the chiral structures and space groups. Chirality is quantified using Hausdorff distances and continuous chirality measures and selected crystal structures are reported. Chirality is discussed for bulk solids and their surfaces. Moreover, the band structure, and thus, the density of states, is found to be affected by the same crystal parameters as chirality. However, it is independent of handedness. The Berry curvature, as a topological measure of the electronic structure, depends on the handedness but is not proof of chirality because it responds to the inversion of a structure. For molecules, optical circular dichroism is one of the most important measures for chirality. Thus, it is proposed in this study that the circular dichroism in the angular distribution of photoelectrons in high symmetry configurations can be used to distinguish the handedness of chiral solids and their surfaces.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2022 |
| Autor(en): | Fecher, Gerhard H. ; Kübler, Jürgen ; Felser, Claudia |
| Art des Eintrags: | Zweitveröffentlichung |
| Titel: | Chirality in the Solid State: Chiral Crystal Structures in Chiral and Achiral Space Groups |
| Sprache: | Englisch |
| Publikationsjahr: | 2022 |
| Ort: | Darmstadt |
| Publikationsdatum der Erstveröffentlichung: | 2022 |
| Verlag: | MDPI |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Materials |
| Jahrgang/Volume einer Zeitschrift: | 15 |
| (Heft-)Nummer: | 17 |
| Kollation: | 32 Seiten |
| DOI: | 10.26083/tuprints-00022324 |
| URL / URN: | https://tuprints.ulb.tu-darmstadt.de/22324 |
| Zugehörige Links: | |
| Herkunft: | Zweitveröffentlichung DeepGreen |
| Kurzbeschreibung (Abstract): | Chirality depends on particular symmetries. For crystal structures it describes the absence of mirror planes and inversion centers, and in addition to translations, only rotations are allowed as symmetry elements. However, chiral space groups have additional restrictions on the allowed screw rotations as a symmetry element, because they always appear in enantiomorphous pairs. This study classifies and distinguishes the chiral structures and space groups. Chirality is quantified using Hausdorff distances and continuous chirality measures and selected crystal structures are reported. Chirality is discussed for bulk solids and their surfaces. Moreover, the band structure, and thus, the density of states, is found to be affected by the same crystal parameters as chirality. However, it is independent of handedness. The Berry curvature, as a topological measure of the electronic structure, depends on the handedness but is not proof of chirality because it responds to the inversion of a structure. For molecules, optical circular dichroism is one of the most important measures for chirality. Thus, it is proposed in this study that the circular dichroism in the angular distribution of photoelectrons in high symmetry configurations can be used to distinguish the handedness of chiral solids and their surfaces. |
| Freie Schlagworte: | chirality, chirality measure, chiral space groups, chiral elements, compounds, and surfaces, electronic structure, dichroism |
| Status: | Verlagsversion |
| URN: | urn:nbn:de:tuda-tuprints-223241 |
| Sachgruppe der Dewey Dezimalklassifikatin (DDC): | 500 Naturwissenschaften und Mathematik > 530 Physik 500 Naturwissenschaften und Mathematik > 540 Chemie |
| Fachbereich(e)/-gebiet(e): | 05 Fachbereich Physik 05 Fachbereich Physik > Institut für Physik Kondensierter Materie (IPKM) |
| Hinterlegungsdatum: | 12 Sep 2022 13:18 |
| Letzte Änderung: | 14 Sep 2022 13:59 |
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| Suche nach Titel in: | TUfind oder in Google |
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- Chirality in the Solid State: Chiral Crystal Structures in Chiral and Achiral Space Groups. (deposited 12 Sep 2022 13:18) [Gegenwärtig angezeigt]
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