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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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Akselrud, Lev1, Autor           
Wosylus, Aron2, Autor           
Castillo, Rodrigo1, Autor           
Aydemir, Umut1, Autor           
Prots, Yurii3, Autor           
Schnelle, Walter4, Autor           
Grin, Yuri5, Autor           
Schwarz, Ulrich6, Autor           
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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 Zusammenfassung: 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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Sprache(n): eng - English
 Datum: 2014-11-26
 Publikationsstatus: Erschienen
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 Art der Begutachtung: -
 Identifikatoren: ISI: 000346544100010
DOI: 10.1021/ic5021065
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Titel: Inorganic Chemistry
  Kurztitel : Inorg. Chem.
Genre der Quelle: Zeitschrift
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Ort, Verlag, Ausgabe: Washington, DC : American Chemical Society
Seiten: - Band / Heft: 53 (24) Artikelnummer: - Start- / Endseite: 12699 - 12705 Identifikator: ISSN: 0020-1669
CoNE: https://pure.mpg.de/cone/journals/resource/0020-1669