Heat capacity and lattice dynamics of cubic and hexagonal SrMn O3: Calorimetry and density functional theory simulations

Physical Review B - Condensed Matter and Materials Physics

Volumn 75, Issue 21, 2007, Pages

  Søndenå, Rune ^a   Stølen, Svein ^a   Ravindran, P ^a   Grande, Tor ^b  

^a UNIVERSITY OF OSLO   (Norway)

^b NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34347401910     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.75.214307     Document Type: Article

References (38)

1. R. H. Mitchell, Perovskites: Modern and Ancient (Almaz Press, Thunder Bay, Canada, 2002).
2. R. Søndenå, S. Stølen, P. Ravindran, T. Grande, and N. L. Allan, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.75.184105 75, 184105 (2007).
3. F. F. Fava, P. D'Arco, R. Orlando, and R. Dovesi, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/9/2/016 9, 489 (1997).
4. Y. Syono, S. I. Akimoto, and K. Kohn, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.26.993 26, 993 (1969).
5. R. Søndenå, P. Ravindran, S. Stølen, T. Grande, and M. Hanfland, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.144102 74, 144102 (2006).
6. T. Negas, J. Solid State Chem. JSSCBI 0022-4596 10.1016/0022-4596(73) 90125-4 7, 85 (1973).
7. T. Negas and R. S. Roth, J. Solid State Chem. JSSCBI 0022-4596 10.1006/jssc.1997.7608 1, 409 (1970).
8. B. L. Chamberland, A. W. Sleight, and J. F. Weiher, J. Solid State Chem. JSSCBI 0022-4596 10.1006/jssc.2000.9029 1, 506 (1970).
9. T. Negas, J. Solid State Chem. JSSCBI 0022-4596 10.1016/0022-4596(73) 90213-2 6, 136 (1973).
10. T. Negas and R. S. Roth, J. Solid State Chem. JSSCBI 0022-4596 10.1016/0022-4596(71)90068-5 3, 323 (1971).
11. R. M. Martin, Electronic Structure (Cambridge University Press, Cambridge, U.K., 2004).
12. A. Sacchetti, M. Baldini, F. Crispoldi, P. Postorino, P. Dore, A. Nucara, C. Martin, and A. Maignan, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72. 172407 72, 172407 (2005).
13. A. Sacchetti, M. Baldini, P. Postorino, C. Martin, and A. Maignan, J. Raman Spectrosc. JRSPAF 0377-0486 37, 591 (2006).
14. L. Rørmark, A. B. Mørch, K. Wiik, S. Stølen, and T. Grande, Chem. Mater. CMATEX 0897-4756 10.1021/cm011050l 13, 4005 (2001).
15. L. Rørmark, K. Wiik, S. Stølen, and T. Grande, J. Mater. Chem. JMACEP 0959-9428 10.1039/b103510j 12, 1058 (2002).
16. O. Chmaissem, B. Dabrowski, S. Kolesnik, J. Mais, D. E. Brown, R. Kruk, P. Prior, B. Pyles, and J. D. Jorgensen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.134412 64, 134412 (2001).
17. P. D. Battle, T. C. Gibb, and C. W. Jones, J. Solid State Chem. JSSCBI 0022-4596 10.1016/0022-4596(88)90331-3 74, 60 (1988).
18. T. Takeda and S. Ohara, J. Phys. Soc. Jpn. JUPSAU 0031-9015 37, 275 (1974).
19. J. C. Lashley, M. F. Hundley, A. Migliori, J. L. Sarrao, P. G. Pagliuso, T. W. Darling, M. Jaime, J. C. Cooley, W. L. Hults, L. Morales, D. J. Thoma, J. L. Smith, J. Boerio-Goates, B. F. Woodfield, G. R. Stewart, R. A. Fisher, and N. E. Phillips, Cryogenics CRYOAX 0011-2275 10.1016/S0011-2275(03)00092-4 43, 369 (2003).
20. E. Dachs and C. Bertoldi, Eur. J. Mineral. EJMIER 0935-1221 10.1127/0935-1221/2005/0017-0251 17, 251 (2005).
21. S. Stølen and R. Søndenå, Thermochim. Acta THACAS 0040-6031 446, 135 (2006).
22. J. S. Hwang, K. J. Lin, and C. Tien, Rev. Sci. Instrum. RSINAK 0034-6748 10.1063/1.1147722 68, 94 (1997).
23. B. L. Brandt, D. W. Liu, and L. G. Rubin, Rev. Sci. Instrum. RSINAK 0034-6748 10.1063/1.1149549 70, 104 (1999).
24. P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964).
25. W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
26. P. E. Blöchl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
27. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
28. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.558 47, 558 (1993).
29. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
30. E. O. Wollan and W. C. Koehler, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.100.545 100, 545 (1955).
31. K. Kuroda, N. Ishizawa, N. Mizutani, and M. Kato, J. Solid State Chem. JSSCBI 0022-4596 10.1016/0022-4596(81)90059-1 38, 297 (1981).
32. K. Parlinski, computer code PHONON (Polish Academy of Sciences, Cracow, Poland, 1999).
33. K. Parlinski and Y. Kawazoe, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.15511 60, 15511 (1999).
34. T. J. B. Holland, Am. Mineral. AMMIAY 0003-004X 74, 5 (1989).
35. S. Stølen and R. G. Trønnes, Phys. Earth Planet. Inter. PEPIAM 0031-9201 (to be published).
36. B. F. Woodfield, J. L. Shapiro, R. Stevens, J. Boerio-Goates, and M. L. Wilson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.7335 60, 7335 (1999).
37. J. C. Phillips, J. Non-Cryst. Solids JNCSBJ 0022-3093 10.1016/0022-3093(79)90033-4 34, 153 (1979).
38. J. C. Phillips, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/16/44/004 16, S5065 (2004).