Structural Order-Disorder Transitions and Phonon Conductivity of Partially Filled Skutterudites
نویسندگان
چکیده
منابع مشابه
Structural order-disorder transitions and phonon conductivity of partially filled skutterudites.
Filled skutterudites are high-performance thermoelectric materials and we show how their phonon conductivity is greatly influenced by the topology of the filler species. We predict (ab initio) the phase diagram of Ba(x)Co4Sb12 and find several stable configurations of Ba ordering over the intrinsic voids. The phonon conductivity predicted using molecular dynamics shows a minimum in the two-phas...
متن کاملEffect of filler mass and binding on thermal conductivity of fully filled skutterudites
Citation Zebarjadi, Mona et al. " Effect of filler mass and binding on thermal conductivity of fully filled skutterudites. " Physical Review B 82.19 (2010) : n. pag. Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. The MIT Faculty has made this article openly available. Please share...
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Infrared reflectance spectroscopy measurements were made on four members of the MFe4P12 family of filled skutterudites, with M5La, Th, Ce, and U. In progressing from M5La to U the system undergoes a metalinsulator transition. It is shown that, although the filling atom induces such dramatic changes in the transport properties of the system, it has only a small effect on lattice dynamics. We dis...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2010
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.105.265901