First-principles calculations of the elastic, electronic, and optical properties of the filled skutterudites Ce Fe4 P12 and Th Fe4 P12

Physical Review B - Condensed Matter and Materials Physics

Volumn 75, Issue 19, 2007, Pages

  Khenata, R ^a   Bouhemadou, A ^b   Reshak, Ali H ^c   Ahmed, R ^d   Bouhafs, B ^e   Rached, D ^a   Al Douri, Y ^f   Rerat M ^g  

^a UNIVERSITÉ DE MASCARA   (Algeria)

^b FERHAT ABBAS UNIVERSITY   (Algeria)

^c UNIVERSITY OF SOUTH BOHEMIA   (Czech Republic)

^d UNIVERSITY OF THE PUNJAB   (Pakistan)

^e UNIVERSITY OF SIDI BEL ABBES   (Algeria)

^f LABORATOIRE CRISMAT   (France)

^g UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34347353293     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.75.195131     Document Type: Article

References (49)

1. F. Grandjean, A. Gérard, D. J. Braun, and W. Jeitschko, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(84)90128-8 45, 877 (1984).
2. W. Jeitschko and D. J. Braun, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. ACBCAR 0567-7408 10.1107/S056774087701108X 33, 3401 (1977).
3. K. Takegahara, H. Harima, and A. Yanase, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.70.1190 70, 1190 (2001).
4. I. Shirotani, T. Uchiumi, K. Ohno, C. Sekine, Y. Nakazawa, K. Kanoda, S. Todo, and T. Yagi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.7866 56, 7866 (1997).
5. T. Uchiumi, I. Shirotani, C. Sekine, S. Todo, T. Yagi, Y. Nakazawa, and K. Kanoda, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/S0022-3697(98)00292-3 60, 689 (1999).
6. E. D. Bauer, N. A. Frederick, P.-C. Ho, V. S. Zapf, and M. B. Maple, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.100506 65, 100506 (R) (2002).
7. G. P. Meisner, M. S. Torikachvili, K. N. Yang, M. B. Maple, and R. P. Guertin, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.335217 57, 3073 (1985).
8. I. Shirotani, T. Uchiumi, C. Sekine, S. Kimura, and N. Hamaya, J. Solid State Chem. JSSCBI 0022-4596 10.1006/jssc.1998.8003 142, 146 (1999).
9. M. S. Torikachvili, C. Rossel, M. W. McElfresh, M. B. Maple, R. P. Guertin, and G. P. Meisner, J. Magn. Magn. Mater. JMMMDC 0304-8853 10.1016/0304-8853(86)90622-0 54, 365 (1986).
10. M. E. Danebrock, C. B. H. Evers, and W. Jeitschko, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(95)00277-4 57, 381 (1996).
11. L. Keller, P. Fischer, T. Herrmannsdörfer, A. Dönni, H. Sugawara, T. D. Matsuda, K. Abe, Y. Aoki, and H. Sato, J. Alloys Compd. JALCEU 0925-8388 10.1016/S0925-8388(01)01163-X 323, 516 (2001).
12. K. Tenya, N. Oeschler, P. Gegenwart, F. Steglich, N. A. Frederick, E. D. Bauer, and M. B. Maple, Acta Phys. Pol. B APOBBB 0587-4254 34, 995 (2003).
13. C. Sekine, T. Uchiumi, I. Shirotani, K. Matsuhira, T. Sakakibara, T. Goto, and T. Yagi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.11581 62, 11581 (2000).
14. S. V. Dordevic, D. N. Basov, N. R. Dilley, E. D. Bauer, and M. B. Maple, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.684 86, 684 (2001).
15. A. Yamasaki, S. Imada, T. Masuda, T. Nanba, A. Sekiyama, H. Sugawara, T. D. Matsuda, H. Sato, C. Sekine, I. Shirotani, H. Harima, and S. Suga, Acta Phys. Pol. B APOBBB 0587-4254 34, 1035 (2003).
16. E. D. Bauer, A. Slebarski, E. J. Freeman, C. Sirvent, and M. B. Maple, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/13/20/310 13, 4495 (2001).
17. C. Sekine, T. Uchiumi, I. Shirotani, and T. Yagi, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.79.3218 79, 3218 (1997).
18. B. C. Sales, D. Mandrus, and R. K. Williams, Science SCIEAS 0036-8075 10.1126/science.272.5266.1325 272, 1325 (1996).
19. G. S. Nolas, J. L. Cohn, and G. A. Slack, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.164 58, 164 (1998).
20. G. A. Slack and V. G. Tsoukala, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.357750 76, 1665 (1994).
21. G. Chen, M. S. Dresselhaus, G. Dresselhaus, J. P. Fleurial, and T. Caillat, Int. Mater. Rev. INMREO 0950-6608 10.1179/095066003225010182 48, 45 (2003).
22. J. L. Feldman, D. J. Singh, C. Kendziora, D. Mandrus, and B. C. Sales, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.094301 68, 094301 (2003);
23. J. L. Feldman, D. J. Singh, I. I. Mazin, D. Mandrus, and B. C. Sales, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.R9209 61, R9209 (2000).
24. S. V. Dordevic, N. R. Dilley, E. D. Bauer, D. N. Basov, M. B. Maple, and L. Degiorgi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.11321 60, 11321 (1999).
25. M. Matsunami, K. Horiba, M. Taguchi, K. Yamamoto, A. Chainani, Y. Takata, Y. Senba, H. Ohashi, H. Sugawara, H. Sato, H. Harima, and S. Shin, Physica B PHYBE3 0921-4526 378, 177 (2006).
26. K. Magishi, H. Sugawara, T. Saito, K. Koyama, and H. Sato, Physica B PHYBE3 0921-4526 378, 175 (2006).
27. M. S. Torikachvili, J. W. Chen, Y. Dalichaouch, R. P. Guertin, M. W. McElfresh, C. Rossel, M. B. Maple, and G. P. Meisner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.36.8660 36, 8660 (1987).
28. I. Shirotani, T. Noro, J. Hayashi, C. Sekine, R. Giri, and T. Kikegawa, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/16/1/001 16, 1 (2004).
29. K. Takegahara and H. Harima, Physica B PHYBE3 0921-4526 329, 464 (2003).
30. L. Nordström and D. J. Singh, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.53.1103 53, 1103 (1996).
31. D. H. Galván, N. R. Dilley, M. B. Maple, A. Posada-Amarillas, A. Reyes-Serrato, and J. C. SamaniegoReyna, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.115110 68, 115110 (2003).
32. G. K. H. Madsen, P. Blaha, K. Schwarz, E. Sjöstedt, and L. Nordström, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.195134 64, 195134 (2001).
33. K. Schwarz, P. Blaha, and G. K. H. Madsen, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/S0010-4655(02)00206-0 147, 71 (2002).
34. P. Blaha, K. Schwarz, G. K. H. Madsen, D. Kvasnicka, and J. Luitz, WIEN2K, An augmented plane wave plus local orbitals program for calculating crystal properties, Vienna University of Technology, Austria, 2001.
35. J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
36. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
37. F. D. Murnaghan, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 10.1073/pnas.30.9.244 30, 244 (1944).
38. D. J. Braun and W. Jeitschko, J. Less-Common Met. JCOMAH 0022-5088 10.1016/0022-5088(80)90007-7 76, 33 (1980).
39. M. J. Mehl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.2493 47, 2493 (1993).
40. A. Bouhemadou, R. Khenata, M. Sahnoun, H. Baltache, and M. Kharoubi, Physica B PHYBE3 0921-4526 363, 255 (2005).
41. R. Khenata, M. Sahnoun, H. Baltache, M. Rérat, A. H. Reshak, Y. Al-Douri, and B. Bouhafs, Phys. Lett. A PYLAAG 0375-9601 344, 271 (2005).
42. D. J. Singh and W. E. Pickett, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.11235 50, 11235 (1994).
43. J. O. Sofo and G. D. Mahan, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.15620 58, 15620 (1998).
44. K. T. Wojciechowski, J. Tobola, and J. Leszczynski, J. Alloys Compd. JALCEU 0925-8388 10.1016/S0925-8388(03)00411-0 361, 19 (2003).
45. I. Lefebvre-Devos, M. Lassalle, X. Wallart, J. Olivier-Fourcade, L. Monconduit, and J. C. Jumas, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63. 125110 63, 125110 (2001).
46. D. Jung, M. H. Whangbo, and S. Alvarez, Inorg. Chem. INOCAJ 0020-1669 10.1021/ic00337a015 29, 2252 (1990).
47. H. Sato, Y. Abe, H. Okada, T. D. Matsuda, K. Abe, H. Sugawara, and Y. Aoki, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.15125 62, 15125 (2000).
48. C. Amrosch-Draxl and J. O. Sofo, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2006.03.005 175, 1 (2006).
49. C. Pouchan, D. Bégué, and D. Y. Zhang, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1768166 121, 4628 (2004).