Crystal structures of thermoelectric n- and p-type Ba8Ga 16Ge30 studied by single crystal, multitemperature, neutron diffraction, conventional X-ray diffraction and resonant synchrotron X-ray diffraction

Journal of the American Chemical Society

Volumn 128, Issue 49, 2006, Pages 15657-15665

  Christensen, Mogens ^a   Lock, Nina ^a   Overgaard, Jacob ^a   Iversen, Bo B ^a  

^a AARHUS UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; NEUTRON DIFFRACTION; RESONANCE; SINGLE CRYSTALS; THERMOELECTRICITY; X RAY DIFFRACTION ANALYSIS;

BARIUM ATOMS; EINSTEIN TEMPERATURES; RESONANT SYNCHROTRON X-RAY DIFFRACTION;

BARIUM COMPOUNDS;

BARIUM DERIVATIVE; GALLIUM; GERMANIUM DERIVATIVE;

ARTICLE; CHEMICAL BOND; CRYSTAL STRUCTURE; DENSITY; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; NEUTRON DIFFRACTION; ROOM TEMPERATURE; SYNCHROTRON; TEMPERATURE DEPENDENCE; THERMAL CONDUCTIVITY; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION;

EID: 33845418775     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja063695y     Document Type: Article

References (51)

1. Slack, G. A. New Materials and Performance Limits for Thermoeletric Cooling; Rowe, D. M., Ed.; CRC Press: Boca Raton, FL. 1995.
2. (a) Sales, B. C.; Mandrus, D.; Williams, R. K. Science 1996, 272, 1325-1328.
3. (b) Keppens, V.; Mandrus, D.; Sales, B. C.; Chakoumakos, B. C.; Dai, P.; Coldea, R.; Maple, M. B.; Gajewski, D. A.; Freeman, E. J.; Bennington, S. Nature 1998, 395, 876-878.
4. (c) Tritt, T. M. Science 1999, 283, 804-805.
5. (d) DiSalvo, F. J. Science 1999, 285, 703-706.
6. (e) Chung, D.; Hogan, T.; Brazis, P.; Rocci-Lane, M.; Kannewurf, C.; Bastea, M.; Uher, C.; Kanatzidis, M. G. Science 2000, 287, 1024-1027.
7. (f) Venkata-subramanian, R.; Siivola, E.; Colpitts, T.; O'Quinn, B. Nature 2001, 413, 597-602.
8. (g) Hsu, K. F.; Loo, S.; Guo, F.; Chen, W.; Dyck, J. S.; Uher, C.; Hogan, T.; Polychroniadis, E. K.; Kanatzidis, M. G. Science 2004, 303, 818-821.
9. (h) Snyder, G. J.; Christensen, M.; Nishibori, E.; Caillat, T.; Iversen, B. B. Nat. Mater. 2004, 3, 458-463.
10. (a) Nolas, G. S.; Cohn, J. L.; Slack, G. A.; Schujman, S. B. Appl. Phys. Lett. 1998, 73, 178-180.
11. (b) Cohn, J. L.; Nolas, G. S.; Fessatidis, V.; Metcalf, T. H.; Slack, G. A. Phys. Rev. Lett. 1999, 82, 779-782.
12. (a) Nolas, G. S.; Weakley, T. J. R.; Cohn, J. L.; Sharma, R. Phys. Rev. B 2000, 61, 3845-3850.
13. (b) Sales, B. C.; Chakoumakos, B. C.; Jin, R.; Thompson, J. R.; Mandrus, D. Phys. Rev. B 2001, 63, 245113.
14. (c) Paschen, S.; Carrillo-Cabrera, W.; Bentien, A.; Tran, V. H.; Baenitz, M.; Grin, Y.; Steglich, F. Phys. Rev. B 2001, 64, 214404.
15. Bentien, A.; Christensen, M.; Bryan, J. D.; Sanchez, A.; Paschen, S.; Steglich, F.; Stucky, G. D.; Iversen, B. B. Phys. Rev. B 2004, 69, 045107.
16. Bridges, F.; Downward, L. Phys. Rev. B 2004, 70, 140201
17. Zerec, I.; Keppens, V.; McGuire, M. A.; Mandrus, D.; Sales, B. C.; Thalmeier, P. Phys. Rev. Lett. 2004, 92, 185502-185504.
18. Umeo, K.; Avila, M. A.; Sakata, T.; Suekuni, K.; Takabatake, T. J. Phys. Soc. Jpn. 2005, 74, 2145-2148.
19. Bentien, A.; Johnsen, S.; Iversen, B. B. Phys. Rev. B 2006, 73, 094301.
20. Hermann, R. P.; Keppens, V.; Bonville, P.; Nolas, G. S.; Grandjean, F.; Long, G. J.; Christen, H. M.; Chakoumakos, B. C.; Sales, B. C.; Mandrus, D. Phys. Rev. Lett. 2006, 97, 017401.
21. Umeo, K.; Avila, M. A.; Sakata, T.; Suekuni, K.; Takabatake, T. J. Phys. Soc. Jpn. 2005, 74, 2145-2148.
22. (a) Dubois, F.; Fassler, T. F. J. Am. Chem. Soc. 2005, 127, 3264-3265.
23. (b) Carrillo-Cabrera, W.; Budnyk, S.; Prots, Y.; Grin, Y. Z. Anorg. Allg. Chem. 2004, 630, 2267-2276.
24. (c) Carrillo-Cabrera, W.; Gil, R. C.; Paschen, S.; Grin, Y. Z. Kristallogr. 2002, 217, 183-185.
25. (a) Bentien, A.; Pacheco, V.; Paschen, S.; Grin, Y.; Steglich, F. Phys. Rev. B 2005, 71, 165206.
26. (b) Saramat, A.; Svensson, G.; Palmqvist, A. E. C.; Stiewe, C.; Mueller, E.; Platzek, D.; Williams, S. G. K.; Rowe, D. M.; Bryan, J. D.; Stucky, G. D. J. Appl. Phys. 2006, 99, 023708.
27. (a) Chakoumakos, B. C.; Sales, B. C.; Mandrus, D. G.; Nolas, G. S. J. Alloys Compd. 2000, 296, 80-86.
28. (b) Chakoumakos, B. C.; Sales, B. C.; Mandrus, D. G. J. Alloys Compd. 2001, 322, 127-134.
29. Bentien, A.; Palmqvist, A. E. C.; Bryan, J. D.; Latturner, S.; Stucky, G. D.; Furenlid, L.; Iversen, B. B. Angew. Chem., Int. Ed. 2000, 39, 3613-3616.
30. (a) Bentien, A.; Nishibori, E.; Paschen, S.; Iversen, B. B. Phys. Rev. B 2005, 71, 144107.
31. (b) Bentien, A.; Iversen, B. B.; Bryan, J. D.; Stucky, G. D.; Palmqvist, A. E. C.; Schultz, A. J.; Henning, R. W. J. Appl. Phys. 2002, 91, 5694-5699.
32. Zhang, Y. G.; Lee, P. L.; Nolas, G. S.; Wilkinson, A. P. Appl. Phys. Lett. 2002, 80, 2931-2933.
33. Schultz, A. J. Trans. Am. Cryst. Assoc. 1993, 29, 29-41.
34. (a) Schultz, A. J.; Leung, P. C. W. J. Phys. (Paris) Colloq. C 1986, 5, 137-142.
35. (b) Schultz, A. J. Trans. Am. Crystallogr. Assoc. 1987, 23, 61-69.
36. Overgaard, J.; Schiøtt, B.; Larsen, F. K.; Iversen, B. B. Chem.-Eur. J. 2001, 3756-3767.
37. Larson, A. C.; Dreele, R. B. V. Los Alamos National Laboratory Report LAUR 2004; pp 86-748.
38. Evansa, G.; Pettiferb, R. F. J. Appl. Crystallogr. 2000, 34, 82-86.
39. RED, O. D. C., Oxford Diffraction Ltd, Abingdon, Oxfordshire, England, 2004.
40. Blessing, R. H. J. Appl. Crystallogr. 1997, 30, 421-426.
41. Sheldrick, G. M. SAINT-Plus, SADABS, and SHELX programs. University of Göttingen: Germany, 2003.
42. Iversen, B. B.; Larsen, F. K.; Figgis, B. N.; Reynolds, P. A.; Schultz, A. J. Acta Crystallogr., Sect. B 1996, 52, 923-932.
43. Madsen, G. K. H.; Santi, G. Phys. Rev. B 2005, 72, 220301.
44. Baumbach, R.; Bridges, F.; Downward, L.; Cao, D.; Chesler, P.; Sales, B. Phys. Rev. B 2005, 71, 024202-02421.9.
45. (a) Coppens, P. X-ray Charge Densities and Chemical Bonding; Oxford Science Publications, Oxford, 1997.
46. (b) Iversen, B. B.; Larsen, F. K.; Figgis, B. N.; Reynolds, P. A. J. Chem. Soc., Dalton Trans. 1997, 13, 2227-2240.
47. (c) Macchi, P.; Larsen, F. K.; Schultz, A.; Iversen, B. B. J. Phys. Chem. A 2001, 105, 9231-9242.
48. (d) Figgis, B. N.; Iversen, B. B.; Larsen, F. K.; Reynolds, P. A. Acta Crystallogr., Sect. B 1993, 49, 794-806.
49. (a) Hermann, R. P.; Schweika, W.; Leupold, O.; Ruffer, R.; Nolas, G. S.; Grandjean, F.; Long, G. J. Phys. Rev. B 2005, 72, 174301.
50. (b) Christensen, M.; Juranyi, F.; Iversen, B. B. Physica B 2006, in press.
51. Blake, N. P.; Bryan, D.; Latturner, S.; Møllnitz, L.; Stucky, G. D.; Metiu, H. J. Chem. Phys. 2001, 114, 10063-10074.