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Chirality in the Solid State: Chiral Crystal Structures in Chiral and Achiral Space Groups

Fecher, Gerhard H. ; Kübler, Jürgen ; Felser, Claudia (2022)
Chirality in the Solid State: Chiral Crystal Structures in Chiral and Achiral Space Groups.
In: Materials, 15 (17)
doi: 10.3390/ma15175812
Artikel, Bibliographie

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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: Bibliographie
Titel: Chirality in the Solid State: Chiral Crystal Structures in Chiral and Achiral Space Groups
Sprache: Englisch
Publikationsjahr: 2022
Ort: Darmstadt
Verlag: MDPI
Titel der Zeitschrift, Zeitung oder Schriftenreihe: Materials
Jahrgang/Volume einer Zeitschrift: 15
(Heft-)Nummer: 17
Kollation: 32 Seiten
DOI: 10.3390/ma15175812
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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.

Freie Schlagworte: chirality, chirality measure, chiral space groups, chiral elements, compounds, and surfaces, electronic structure, dichroism
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: 02 Aug 2024 12:43
Letzte Änderung: 02 Aug 2024 12:43
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