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Thermal and lattice dynamical properties of Na8Si46 clathrate

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dc.contributor.authorQiu, LYen_US
dc.contributor.authorWhite, MAen_US
dc.contributor.authorLi, ZQen_US
dc.contributor.authorTse, JSen_US
dc.contributor.authorRatcliffe, CIen_US
dc.contributor.authorTulk, CAen_US
dc.contributor.authorDong, JJen_US
dc.contributor.authorSankey, OFen_US
dc.date.accessioned2013-08-23T15:58:42Z
dc.date.available2013-08-23T15:58:42Z
dc.date.issued2001-07en_US
dc.description.abstractThe experimental heat capacity of Na8Si46 has been determined from 35-300 K, and its lattice parameters have been measured over the range 100-330 K. The experimental heat capacity and the thermal-expansion coefficient are compared with theoretical lattice-dynamical calculations for Na8Si46. The latter accurately reproduce the experimental thermal expansion and also give the first reliable assignment of the vibrational spectrum of this material, as judged by comparison of the calculated and experimental heat capacities. In addition, the theoretical results allow a calculation of the Gruneisen parameter of Na8Si46, which shows enhanced anharmonicity at low temperatures.en_US
dc.identifier.citationQiu, LY, MA White, ZQ Li, JS Tse, et al. 2001. "Thermal and lattice dynamical properties of Na8Si46 clathrate." Physical Review B 64(2): 024303-024303. Copyright © 2001 American Physical Society.en_US
dc.identifier.issn0163-1829en_US
dc.identifier.issue2en_US
dc.identifier.startpage024303en_US
dc.identifier.urihttp://dx.doi.org/10.1103/PhysRevB.64.024303en_US
dc.identifier.urihttp://hdl.handle.net/10222/36205
dc.identifier.volume64en_US
dc.relation.ispartofPhysical Review Ben_US
dc.titleThermal and lattice dynamical properties of Na8Si46 clathrateen_US
dc.typearticleen_US

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