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Computational and theoretical studies on lattice thermal conductivity and thermal properties of silicon clathrates

2016

The lattice thermal conductivity is usually an intrinsic property in the study of thermoelectricity. In particular, relatively low lattice thermal conductivity is usually a desired feature when higher thermoelectric efficiency is pursued. The mechanisms which lower the lattice thermal conductivity are not known in sufficient detail and deeper understanding about the phenomena is needed and if such understanding is achieved it can be used to design more efficient thermoelectric materials. In this thesis, the lattice thermal conductivity and other thermal properties of several silicon clathrates, which are known to be promising candidates for the thermoelectric applications, are studied by theoreti…

clathratespiiphononsmany-body perturbation theorykiteetCondensed Matter::Materials Sciencehilarakenneklatraatitpuolijohteetlämmön johtuminenthermal conductivityGreen's functionslattice dynamicslämpösähköiset materiaalitlämpölaajeneminenthermal expansionfononit
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