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

Fecher, G. H., Kübler, J., & Felser, C. (2022). Chirality in the Solid State: Chiral Crystal Structures in Chiral and Achiral Space Groups. Materials, 15(17): 5812, pp. 1-32. doi:10.3390/ma15175812.

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 Creators:
Fecher, Gerhard H.1, Author           
Kübler, Jürgen2, Author
Felser, Claudia3, Author           
Affiliations:
1Gerhard Fecher, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863431              
2External Organizations, ou_persistent22              
3Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863429              

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 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.

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Language(s): eng - English
 Dates: 2022-08-232022-08-23
 Publication Status: Published in print
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 Table of Contents: -
 Rev. Type: -
 Identifiers: ISI: 000851667800001
DOI: 10.3390/ma15175812
 Degree: -

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Title: Materials
  Abbreviation : Materials
Source Genre: Journal
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Publ. Info: Basel : MDPI
Pages: - Volume / Issue: 15 (17) Sequence Number: 5812 Start / End Page: 1 - 32 Identifier: ISSN: 1996-1944
CoNE: https://pure.mpg.de/cone/journals/resource/1996-1944