Structural Order-Disorder Transitions and Phonon Conductivity of Partially Filled Skutterudites

Kim, Hyoungchul; Kaviany, Massoud; Thomas, John C.; Van der Ven, Anton; Uher, Ctirad; Huang, Baoling

doi:10.1103/PhysRevLett.105.265901

Title: Structural Order-Disorder Transitions and Phonon Conductivity of Partially Filled Skutterudites

Journal Article · Wed Dec 01 00:00:00 EST 2010 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.105.265901· OSTI ID:1380367

Kim, Hyoungchul; Kaviany, Massoud; Thomas, John C.; Van der Ven, Anton; Uher, Ctirad; Huang, Baoling

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Solar and Thermal Energy Conversion (CSTEC)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: SC0000957

OSTI ID:: 1380367

Journal Information:: Physical Review Letters, Vol. 105, Issue 26; Related Information: CSTEC partners with University of Michigan (lead); Kent State University; ISSN 0031-9007

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

References (25)

Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Effects of filling in ${CoSb}_{3}$ : Local structure, band gap, and phonons from first principles Wee, Daehyun; Kozinsky, Boris; Marzari, Nicola Physical Review B, Vol. 81, Issue 4 https://doi.org/10.1103/PhysRevB.81.045204	journal	January 2010
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Roles of atomic restructuring in interfacial phonon transport Shin, Seungha; Kaviany, Massoud; Desai, Tapan Physical Review B, Vol. 82, Issue 8 https://doi.org/10.1103/PhysRevB.82.081302	journal	August 2010
Anomalous barium filling fraction and n -type thermoelectric performance of BayCo4Sb12 Chen, L. D.; Kawahara, T.; Tang, X. F. Journal of Applied Physics, Vol. 90, Issue 4 https://doi.org/10.1063/1.1388162	journal	August 2001
Cubic AgPb_mSbTe_2+m: Bulk Thermoelectric Materials with High Figure of Merit Hsu, Kuei Fang; Loo, Sim; Guo, Fu Science, Vol. 303, Issue 5659, p. 818-821 https://doi.org/10.1126/science.1092963	journal	February 2004
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Effect of partial void filling on the lattice thermal conductivity of skutterudites Nolas, G. S.; Cohn, J. L.; Slack, G. A. Physical Review B, Vol. 58, Issue 1 https://doi.org/10.1103/PhysRevB.58.164	journal	July 1998
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Avoided crossing of rattler modes in thermoelectric materials Christensen, Mogens; Abrahamsen, Asger B.; Christensen, Niels B. Nature Materials, Vol. 7, Issue 10 https://doi.org/10.1038/nmat2273	journal	August 2008
Large thermoelectric power in ${NaCo}_{2} O_{4}$ single crystals Terasaki, I.; Sasago, Y.; Uchinokura, K. Physical Review B, Vol. 56, Issue 20 https://doi.org/10.1103/PhysRevB.56.R12685	journal	November 1997
Generalized cluster description of multicomponent systems Sanchez, J. M.; Ducastelle, F.; Gratias, D. Physica A: Statistical Mechanics and its Applications, Vol. 128, Issue 1-2 https://doi.org/10.1016/0378-4371(84)90096-7	journal	November 1984
Mechanical properties of filled antimonide skutterudites Zhang, L.; Rogl, G.; Grytsiv, A. Materials Science and Engineering: B, Vol. 170, Issue 1-3 https://doi.org/10.1016/j.mseb.2010.02.022	journal	June 2010
LaFe ₄ P ₁₂ with filled CoAs ₃ -type structure and isotypic lanthanoid–transition metal polyphosphides Jeitschko, W.; Braun, D. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 33, Issue 11 https://doi.org/10.1107/S056774087701108X	journal	November 1977
Transport and mechanical properties of Yb-filled skutterudites Salvador, J. R.; Yang, J.; Shi, X. Philosophical Magazine, Vol. 89, Issue 19 https://doi.org/10.1080/14786430903019099	journal	July 2009
The effect of rare-earth filling on the lattice thermal conductivity of skutterudites Nolas, G. S.; Slack, G. A.; Morelli, D. T. Journal of Applied Physics, Vol. 79, Issue 8 https://doi.org/10.1063/1.361828	journal	January 1996
Low temperature properties of the filled skutterudite CeFe ₄ Sb ₁₂ Morelli, Donald T.; Meisner, Gregory P. Journal of Applied Physics, Vol. 77, Issue 8 https://doi.org/10.1063/1.358552	journal	April 1995
Thermoelectric properties of CoSb3 Kawaharada, Yoshiyuki; Kurosaki, Ken; Uno, Masayoshi Journal of Alloys and Compounds, Vol. 315, Issue 1-2 https://doi.org/10.1016/S0925-8388(00)01275-5	journal	February 2001
High performance InxCeyCo4Sb12 thermoelectric materials with in situ forming nanostructured InSb phase Li, Han; Tang, Xinfeng; Zhang, Qingjie Applied Physics Letters, Vol. 94, Issue 10 https://doi.org/10.1063/1.3099804	journal	March 2009
Thermoelectric properties of p-type half-Heusler compound HfPtSn and improvement for high-performance by Ir and Co additions Kimura, Yoshisato; Zama, Akihisa Applied Physics Letters, Vol. 89, Issue 17 https://doi.org/10.1063/1.2364721	journal	October 2006
Filling Fraction Limit for Intrinsic Voids in Crystals: Doping in Skutterudites Shi, X.; Zhang, W.; Chen, L. D. Physical Review Letters, Vol. 95, Issue 18 https://doi.org/10.1103/PhysRevLett.95.185503	journal	October 2005
Filler-reduced phonon conductivity of thermoelectric skutterudites: Ab initio calculations and molecular dynamics simulations Huang, Baoling; Kaviany, Massoud Acta Materialia, Vol. 58, Issue 13 https://doi.org/10.1016/j.actamat.2010.05.002	journal	August 2010
Filled Skutterudite Antimonides: A New Class of Thermoelectric Materials Sales, B. C.; Mandrus, D.; Williams, R. K. Science, Vol. 272, Issue 5266 https://doi.org/10.1126/science.272.5266.1325	journal	May 1996
Structure and Lattice Thermal Conductivity of Fractionally Filled Skutterudites: Solid Solutions of Fully Filled and Unfilled End Members Meisner, G. P.; Morelli, D. T.; Hu, S. Physical Review Letters, Vol. 80, Issue 16 https://doi.org/10.1103/PhysRevLett.80.3551	journal	April 1998
Breakdown of phonon glass paradigm in La- and Ce-filled Fe4Sb12 skutterudites Koza, Michael Marek; Johnson, Mark Robert; Viennois, Romain Nature Materials, Vol. 7, Issue 10 https://doi.org/10.1038/nmat2260	journal	August 2008

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Title: Structural Order-Disorder Transitions and Phonon Conductivity of Partially Filled Skutterudites

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