Electronic, vibrational, and transport properties of pnictogen-substituted ternary skutterudites

Electronic, vibrational, and transport properties of pnictogen-substituted ternary skutterudites

First principles calculations are used to investigate electronic band structure and vibrational spectra of pnictogen-substituted ternary skutterudites. We compare the results with the prototypical binary composition CoSb3 to identify the effects of substitutions on the Sb site, and evaluate the pote...

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Bibliographic Details
Main Authors: Volja, Dmitri, Kozinsky, Boris, Li, An, Wee, Daehyun, Marzari, Nicola, Fornari, Marco
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format: Article
Language:en_US
Published: American Physical Society 2012
Online Access:http://hdl.handle.net/1721.1/72165
https://orcid.org/0000-0002-0638-539X

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http://hdl.handle.net/1721.1/72165
https://orcid.org/0000-0002-0638-539X

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