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  Interplay of Atomic Interactions in the Intermetallic Semiconductor Be5Pt

Amon, A., Svanidze, E., Ormeci, A., König, M., Kasinathan, D., Takegami, D., et al. (2019). Interplay of Atomic Interactions in the Intermetallic Semiconductor Be5Pt. Angewandte Chemie, International Edition in English, 58(44), 15928-15933. doi:10.1002/anie.201909782.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0004-DBA5-B Version Permalink: http://hdl.handle.net/21.11116/0000-0005-196C-7
Genre: Journal Article

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 Creators:
Amon, Alfred1, Author              
Svanidze, Eteri1, Author              
Ormeci, Alim1, Author              
König, Marcus2, Author              
Kasinathan, Deepa3, Author              
Takegami, Daisuke3, Author              
Prots, Yurii4, Author              
Liao, Yen-Fa5, Author
Tsuei, Ku-Ding5, Author
Tjeng, Liu Hao6, Author              
Leithe-Jasper, Andreas7, Author              
Grin, Yuri8, Author              
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2Markus König, Physics of Quantum Materials, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863470              
3Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863445              
4Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863424              
5External Organizations, ou_persistent22              
6Liu Hao Tjeng, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863452              
7Andreas Leithe-Jasper, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863406              
8Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              

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 Abstract: Semiconducting substances form one of the most important families of functional materials. However, semiconductors containing only metals are very rare. The chemical mechanisms behind their ground-state properties are only partially understood. Our investigations have rather unexpectedly revealed the semiconducting behaviour (band gap of 190 meV) for the intermetallic compound Be5Pt formed at a very low valence-electron count. Quantum-chemical analysis shows strong charge transfer from Be to Pt and reveals a three-dimensional entity of vertex-condensed empty Be-4 tetrahedrons with multi-atomic cluster bonds interpenetrated by the framework of Pt-filled vertex-condensed Be-4 tetrahedrons with two-atomic polar Be-Pt bonds. The combination of strong Coulomb interactions with relativistic effects results in a band gap.

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Language(s): eng - English
 Dates: 2019-09-042019-09-04
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: DOI: 10.1002/anie.201909782
 Degree: -

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Title: Angewandte Chemie, International Edition in English
  Abbreviation : Angew. Chem., Int. Ed. Engl.
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH
Pages: - Volume / Issue: 58 (44) Sequence Number: - Start / End Page: 15928 - 15933 Identifier: ISSN: 0570-0833
CoNE: https://pure.mpg.de/cone/journals/resource/0570-0833