Theoretical study of the lattice thermal conductivity in Ge framework semiconductors

J. Dong, O. F. Sankey, C. W. Myles

Research output: Contribution to journalArticlepeer-review

186 Scopus citations


The linear response theory heat current correlation functions using molecular dynamics was evaluated to determine the lattice thermal conductivity of Ge clathrate. Clathrate crystals with and without guest atoms in their fullerene cages were studied. The clathrate conductivity was lowered by approximately 1 order of magnitude cause by an open framework itself compared with diamond-phase Ge. The effect of encapsulated (rattling) Sr guest atom showed an order of magnitude reduction in the conductivity making it similar with the amorphous Ge.

Original languageEnglish
Pages (from-to)2361-2364
Number of pages4
JournalPhysical Review Letters
Issue number11
StatePublished - Mar 12 2001


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