Single crystal neutron diffraction on the clathrates of Sr8Ga16Ge30, Ba8Ga16Ge30 and Sr4Ba4Ga16Ge30

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dc.contributor.authorTayebjee, Men_AU
dc.contributor.authorPiltz, ROen_AU
dc.contributor.authorYu, DHen_AU
dc.contributor.authorCai, Ken_AU
dc.contributor.authorWong, Len_AU
dc.contributor.authorStampfl, APJen_AU
dc.date.accessioned2022-08-29T04:02:30Zen_AU
dc.date.available2022-08-29T04:02:30Zen_AU
dc.date.issued2006-12-05en_AU
dc.date.statistics2021-08-31en_AU
dc.description.abstractThe key consideration in the development of more efficient thermoelectric materials is to design materials that conduct heat like a glass but maintain good crystal-like electrical conductivities, that is to design so called “phonon glass and electron crystals (PGEC’s), as proposed by Slack [1]. One potential PGEC are clathrates that consist of a cage framework of the group 13/14 elements and alkali, alkaline earth or rare earth atoms trapped within the cages. The properties of such clathrates strongly depend on the details of their structures, the dynamic disorder of the trapped atoms as well as the distribution of framework atoms. The structure of single crystals of Sr8Ga16Ge30, Ba8Ga16Ge30 and Sr4Ba4Ga16Ge30 are characterized by single crystal neutron diffraction. The general gallium-doped germanium cage structure with strontium or barium guest atoms inside is confirmed. The lattice constants are 10.704(1)Å, 10.759(2)Å and 10.757(2)Å for Sr8Ga16Ge30, Ba8Ga16Ge30 and Sr4Ba4Ga16Ge30 respectively. Each unit cell contains two 20-atom cages and six 24-atom cages containing strontium/barium atoms. Analysis of the Sr8Ga16Ge30 cage structure shows that gallium atoms preferentially occupied the 6c site and avoided the 16i site. At the 6d site in the 24-atom cage, large atomic displacement parameters (ADP) from guest-atoms are determined for all structures. Further experiment at low temperature is in progress. [1] G. A. Slack, in CRC Handbook of Thermoelectrics, Edited by D. M. Rowe (CRC Boca Raton, FL, 1995), pp 407-440en_AU
dc.identifier.citationYayebjee, M., Piltz, R., Yo. D.-H., Cai. K., Wong, L., & Stampfl, A. (2006). Single crystal neutron diffraction on the clathrates of Sr8Ga16Ge30, Ba8Ga16Ge30 and Sr4Ba4Ga16Ge30. Paper presented at the Australian Instute of Physics 17th National Congress 2006, Brisbane Convention and Exhibition Centre, Brisbane Australia, Sunday 3 - Friday 8 December 2006. Retrieved from: https://www.aip.org.au/resources/Documents/Congress/AIPCongress-2006-Program.pdfen_AU
dc.identifier.conferenceenddate8 December 2006en_AU
dc.identifier.conferencenameAustralian Instute of Physics 17th National Congress 2006en_AU
dc.identifier.conferenceplaceBrisbane, Australiaen_AU
dc.identifier.conferencestartdate3 December 2006en_AU
dc.identifier.urihttps://www.aip.org.au/resources/Documents/Congress/AIPCongress-2006-Program.pdfen_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/13647en_AU
dc.language.isoenen_AU
dc.publisherAustralian Institute of Physicsen_AU
dc.subjectCrystalsen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectThermoelectric materialsen_AU
dc.subjectMaterialsen_AU
dc.subjectHeaten_AU
dc.subjectThermal conductionen_AU
dc.subjectClathratesen_AU
dc.subjectPhononsen_AU
dc.subjectRare earthsen_AU
dc.subjectAtomsen_AU
dc.titleSingle crystal neutron diffraction on the clathrates of Sr8Ga16Ge30, Ba8Ga16Ge30 and Sr4Ba4Ga16Ge30en_AU
dc.typeConference Abstracten_AU
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