Filled skutterudites: From single to multiple filling

Journal of the Korean Ceramic Society

Volumn 47, Issue 1, 2010, Pages 54-60

  Xi, Lili ^a,c   Zhang, Wenqing ^a   Chen, Lidong ^a   Yang, Jihui ^b  

^a SHANGHAI INSTITUTE OF CERAMICS   (China)

^b GENERAL MOTORS CORPORATION   (United States)

^c UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

Ab initio calculations; Filled skutterudites; Resonance scattering of phonons; Thermoelectric materials

Indexed keywords

AB INITIO CALCULATIONS; FILLED SKUTTERUDITES; FILLED-SKUTTERUDITE; FILLING BEHAVIOR; FILLING FRACTION LIMITS; LOW THERMAL CONDUCTIVITY; PHONON RESONANCE; POWER FACTORS; RESONANCE FREQUENCIES; RESONANCE SCATTERING OF PHONONS; SCALING RULES; THERMAL RESISTIVITY; THERMAL TRANSPORT PROPERTIES; THERMO DYNAMIC ANALYSIS; THERMOELECTRIC MATERIAL; ULTRA-HIGH; VOID FILLING;

ALKALI METALS; CALCULATIONS; ELECTRIC POWER FACTOR; FILLERS; PHONONS; RESONANCE; SCATTERING; THERMAL CONDUCTIVITY; THERMOANALYSIS; THERMOELECTRIC EQUIPMENT; THERMOELECTRICITY;

FILLING;

EID: 78649849911     PISSN: 12297801     EISSN: None     Source Type: Journal    
DOI: 10.4191/KCERS.2010.47.1.054     Document Type: Article

References (44)

1. G. A. Slack, "New Materials and Performance Limits for Thermoelectric Cooling," pp. 407-40, chap. 34, in CRC Handbook of Thermoelectrics, Edited by D. M. Rowe, CRC, Boca Raton, 1995.
2. G. A. Slack and V. G. Tsoukala, "Some Properties of Semiconducting Irsb3," J. Appl. Phys., 76 [3] 1665-71 (1994).
3. G. S. Nolas, J. L. Cohn, and G. A. Slack, "Effect of Partial Void Filling on the Lattice Thermal Conductivity of Skudderudites," Phys. Rev. B, 58 [1] 164-70 (1998).
4. D. T. Morelli, G. P. Meisner, B. X. Chen, S. Q. Hu, and C. Uher, "Cerium Filling and Doping of Cobalt Triantimonide," Phys. Rev. B, 56 [12] 7376-83 (1997).
5. 12 Skutterudites," J. Phys: Condens. Matter., 15 [29] 5035-48 (2003).
6. 3-based Skutterudites," Appl. Phys. Lett., 80 [4] 598-600 (2002).;
7. 12," Phys. Rev. B, 66 [9] 094411-22 (2002).
8. 12 Filled Skutterudites: Stable Divalent State of Europium, to be published.
9. G. S. Nolas, M. Kaeser, R. T. Littleton, and T. M. Tritt, "High Figure of Merit in Partially Filled Ytterbium Skutterudite Materials," Appl. Phys. Lett., 77 [12] 1855-57 (2000).;
10. 3 Composites and Their Thermoelectric Properties," Appl. Phys. Lett., 89 [9] 092121-23 (2006).
11. 12," J. Appl. Phys., 90 [4] 1864-68 (2001).
12. 12," J. Appl. Phys., 99 [5] 053711-14(2006).
13. 12 Skutterudites," J. Appl. Phys., 95 [9] 4852-55 (2004).;
14. 12 Skutterudites," J. Appl. Phys., 97 [8] 083712-16 (2005).
15. T. He, J. Z. Chen, H. D. Rosenfeld, and M. A. Subramanian, 'Thermoelectric Properties of Indium-filled Skutterudites," Chem. Mater., 18 [3] 759-62 (2006).
16. B. C. Sales, B. C. Chakoumakos, and D. Mandrus, 'Thermoelectric Properties of Thallium-filled Skutterudites," Phys. Rev. B, 61 [4] 2475-81 (2000).
17. 3," Appl. Phys. Lett., 84 [25] 5210-12 (2004).
18. G. S. Nolas, H. Takizawa, T. Endo, H. Sellinschegg, and D. C. Johnson, 'Thermoelectric Properties of Sn-filled Skutterudites, Appl. Phys. Lett., 77 [1] 52-54 (2000).
19. 12," Appl. Phys. Lett., 89 [22] 221107-09 (2006).;
20. Y. Z. Pei, J. Yang, L. D. Chen, W. Zhang, J. R. Salvador, and J. H. Yang, "Improving Thermoelectric Performance of Caged Compounds Through Light-element Filling," Appl. Phys. Lett., 95 [4] 042101-03 (2009).
21. B. C. Sales, D. Mandrus, B. C. Chakoumakos, V. Keppens, and J. R. Thompson, "Filled Skutterudite Antimonides: Electron Crystals and Phonon Glasses," Phys. Rev. B, 56 [9] 15081-89 (1997).
22. 3 Skutterudite System," J. Appl. Phys., 79 [11] 8412-18 (1996).
23. G. P. Meisner, D. T. Morelli, S. Hu, J. Yang, and C. Uher, "Structure and Lattice Thermal Conductivity of Fractionally Filled Skutterudites: Solid Solutions of Fully Filled and Unfilled end Members," Phys. Rev. Lett., 80 [16] 355154 (1998).
24. 3: An ab Initio Approach," Phys. Rev. B, 74 [15] 153202-05 (2006).
25. X. Shi, W. Zhang, L. D. Chen, and J. Yang, "Filling Fraction Limit for Intrinsic Voids in Crystals: Doping in Skutterudites," Phys Rev Lett, 95 [18] 185503-07 (2005)., and references therein.
26. 3," Appl. Phys. Lett, 89 [11] 112105-07 (2006).
27. 3 Skutterudites as Thermoelectric Materials: Theoretical Study," Phys. Rev. B, 77 [4] 04520209 (2008).
28. L. Xi, J. Yang, W. Zhang, and L. Chen, "Anomalous DualElement Filling in Partially Filled Skutterudites," J. Am. Chem. Soc., 131 5560-63 (2009).
29. 12," J. Appl. Phys., 100 123702-10 [12] (2006).
30. 12 (R=La, Ce, and Sr)," Appl. Phys. Lett., 90 [19] 192111-13 (2007).
31. 12 Double-filled Skutterudites," Appl. Phys. Lett., 92 [18] 182101-03 (2008).
32. W. Y. Zhao, P. Wei, Q. J. Zhang, C. L. Dong, L. S. Liu, and X. F. Tang, "Enhanced Thermoelectric Performance in Barium and Indium Double-Filled Skutterudite Bulk Materials via Orbital Hybridization Induced by Indium Filler," J. Am. Chem. Soc., 131 [10] 3713-20 (2009).
33. 12," Acta Mater., 57 [11] 3135-39 (2009).
34. G. Kresse and D. Joubert, "From Ultrasoft Pseudopotentials to the Projector Augmented-wave Method," Phys. Rev. B, 59 [3] 1758-75 (1999).;
35. P. E. Blochl, "Projector Augmented-wave Method," Phys. Rev. B, 50 [24] 17953-79 (1994).
36. G. Kresse and J. Furthmuller, "Efficient Iterative Schemes for ab initio Total-energy Calculations Using a Plane-wave Basis Set," Phys. Rev. B, 54 [16] 11169-86 (1996).;
37. G. Kresse and J. Hafner, "Abinitio Molecular-Dynamics for Liquid-Metals," Phys. Rev. B, 47 [1] 558-61 (1993).
38. J. P. Perdew, K. Burke, and M. Ernzerhof, "Generalized Gradient Approximation made Simple," Phys. Rev. Lett., 77 [18] 3865-68 (1996).
39. H. J. Monkhorst and J. D. Pack, "Special Points for Brillouin-Zone Integrations," Phys. Rev. B, 13 [12] 5188-92 (1976).
40. V. Keppens, D. Mandrus, B. C. Sales, B. C. Chakoumakos, P. Dai, R. Coldea, M. B. Maple, D. A. Gajewski, E. J. Freeman, and S. Bennington, "Localized vibrational modes in metallic solids," Nature, 395 [6705] 876-78 (1998).
41. G. J. Long, R. P. Hermann, F. Grandjean, E. E. Alp, W. Sturhahn, C. E. Johnson, D. E. Brown, O. Leupold, and R. Ruffer, "Strongly Decoupled Europium and Iron Vibrational Modes in Filled Skutterudites," Phys. Rev. B, 71 [14] 140302-05 (2005).
42. J. Yang, G. P. Meisner, C. J. Rawn, H. Wang, B. C. Chakoumakos, J. Martin, G. S. Nolas, B. L. Pedersen, and J. K. Stalick, "Low temperature Transport and Structural Properties of Misch-metal-filled Skutterudites," J. Appl. Phys., 102 [8] 083702-08 (2007).
43. 3: Inelastic Neutron Scattering and Theory," Phys. Rev. B., 73 [1] 014306-16 (2006).
44. X. Shi, Jihui Yang, M. Chi, H. Wang, J. R. Salvador, Jiong Yang, S. Bai, W. Zhang, L. Chen, J. Copley, J. B. Leao, J. and J. Rush, "Realization of High Thermoelectric Efficiency in Caged Compounds Using Multiple Incoherent Rattlers," to be published.