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  BaGe6 and BaGe6-x : Incommensurately Ordered Vacancies as Electron Traps

Akselrud, L., Wosylus, A., Castillo, R., Aydemir, U., Prots, Y., Schnelle, W., et al. (2014). BaGe6 and BaGe6-x: Incommensurately Ordered Vacancies as Electron Traps. Inorganic Chemistry, 53(24), 12699-12705. doi:10.1021/ic5021065.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0024-9FEC-F Version Permalink: http://hdl.handle.net/21.11116/0000-0001-4A0D-F
Genre: Journal Article

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 Creators:
Akselrud, Lev1, Author              
Wosylus, Aron2, Author              
Castillo, Rodrigo1, Author              
Aydemir, Umut1, Author              
Prots, Yurii3, Author              
Schnelle, Walter4, Author              
Grin, Yuri5, Author              
Schwarz, Ulrich6, Author              
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863404              
3Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863424              
4Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863441              
5Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              
6Ulrich Schwarz, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863423              

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 Abstract: We report the high-pressure high-temperature synthesis of the germanium-based framework compounds BaGe6 (P = 15 GPa, T = 1073 K) and BaGe6-x (P = 10 GPa, T = 1073 K) which are metastable at ambient conditions. In BaGe6-x, partial fragmentation of the BaGe6 network involves incommensurate modulations of both atomic positions and site occupancy. Bonding analysis in direct space reveals that the defect formation in BaGe6-x is associated with the establishment of free electron pairs around the defects. In accordance with the electron precise composition of BaGe6-x for x = 0.5, physical measurements evidence semiconducting electron transport properties which are combined with low thermal conductivity.

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Language(s): eng - English
 Dates: 2014-11-26
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 000346544100010
DOI: 10.1021/ic5021065
 Degree: -

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Title: Inorganic Chemistry
  Abbreviation : Inorg. Chem.
Source Genre: Journal
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Publ. Info: Washington, DC : American Chemical Society
Pages: - Volume / Issue: 53 (24) Sequence Number: - Start / End Page: 12699 - 12705 Identifier: ISSN: 0020-1669
CoNE: /journals/resource/0020-1669