BaGe 6 and BaGe 6-x : Incommensurately Ordered Vacancies as Electron Traps
2014; American Chemical Society; Volume: 53; Issue: 24 Linguagem: Inglês
10.1021/ic5021065
ISSN1520-510X
AutoresLev Akselrud, Aron Wosylus, Rodrigo Castillo, Umut Aydemir, Yurii Prots, Walter Schnelle, Yuri Grin, Ulrich Schwarz,
Tópico(s)Rare-earth and actinide compounds
ResumoWe report the high-pressure high-temperature synthesis of the germanium-based framework compounds BaGe6 (P = 15 GPa, T = 1073 K) and BaGe(6-x) (P = 10 GPa, T = 1073 K) which are metastable at ambient conditions. In BaGe(6-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 BaGe(6-x) is associated with the establishment of free electron pairs around the defects. In accordance with the electron precise composition of BaGe(6-x) for x = 0.5, physical measurements evidence semiconducting electron transport properties which are combined with low thermal conductivity.
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