Ab initio study of the CE magnetic phase in half-doped manganites: Purely magnetic versus double exchange description

Physical Review B - Condensed Matter and Materials Physics

Volumn 77, Issue 5, 2008, Pages

  Bastardis, Roland ^a,b   De Graaf, Coen ^b,c   Guihéry, Nathalie ^a  

^a European Theoretical Spectroscopy Facility   (France)

^b UNIVERSITAT ROVIRA I VIRGILI   (Spain)

^c INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 40849105127     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.77.054426     Document Type: Article

References (39)

1. G. Jonker and J. van Santen, Physica (Amsterdam) PHYSAG 0031-8914 10.1016/0031-8914(50)90033-4 16, 337 (1950).
2. E. Dagotto, New J. Phys. NJOPFM 1367-2630 10.1088/1367-2630/7/1/067 7, 67 (2005).
3. E. O. Wollan and W. C. Koehler, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.100.545 100, 545 (1955).
4. P. G. Radaelli, D. E. Cox, M. Marezio, and S.-W. Cheong, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55.3015 55, 3015 (1997).
5. A. Daoud-Aladine, J. Rodríguez-Carvajal, L. Pinsard-Gaudart, M. T. Fernandez-Díaz, and A. Revcolevschi, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.097205 89, 097205 (2002).
6. C. Zener, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.82.403 82, 403 (1951).
7. C. de Graaf, C. Sousa, and R. Broer, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.235104 70, 235104 (2004).
8. R. Bastardis, N. Guihéry, and C. de Graaf, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.014432 74, 014432 (2006).
9. R. Bastardis, N. Guihéry, N. Suaud, and C. de Graaf, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2375119 125, 194708 (2006).
10. R. Bastardis, N. Guihéry, and N. Suaud, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.75.132403 75, 132403 (2007).
11. G. Zheng and C. H. Patterson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.220404 67, 220404 (R) (2003).
12. V. Ferrari, M. Towler, and P. B. Littlewood, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.227202 91, 227202 (2003).
13. C. H. Patterson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.085125 72, 085125 (2005).
14. C. Bloch and J. Horowitz, Nucl. Phys. NUPHA7 0029-5582 10.1016/0029-5582(58)90136-6 8, 91 (1958).
15. J. des Cloizeaux, Nucl. Phys. NUPHA7 0029-5582 10.1016/0029-5582(60) 90177-2 20, 321 (1960).
16. J. M. Ricart, R. Dovesi, C. Roetti, and V. R. Saunders, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.52.2381 52, 2381 (1995).
17. I. P. R. Moreira and F. Illas, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55.4129 55, 4129 (1997).
18. Y.-S. Su, T. A. Kaplan, S. D. Mahanti, and J. F. Harrison, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.1324 61, 1324 (2000).
19. D. Muñoz, I. de P. R. Moreira, and F. Illas, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.224521 65, 224521 (2002).
20. C. de Graaf and F. Illas, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.014404 63, 014404 (2000).
21. C. de Graaf, I. de P. R. Moreira, F. Illas, Ò. Iglesias, and A. Labarta, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.014448 66, 014448 (2002).
22. F. Illas, I. de P. R. Moreira, C. de Graaf, O. Castell, and J. Casanovas, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.5069 56, 5069 (1997).
23. C. J. Calzado and J.-P. Malrieu, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.214520 63, 214520 (2001).
24. K. Andersson, P.-Å. Malmqvist, and B. O. Roos, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.462209 96, 1218 (1992).
25. J. Finley, P.-Å. Malmqvist, B. O. Roos, and L. Serrano- Andrés, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(98)00252-8 288, 299 (1998).
26. B. O. Roos and K. Anderson, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(95)01010-7 245, 215 (1995).
27. B. O. Roos, Acc. Chem. Res. ACHRE4 0001-4842 10.1021/ar960091y 32, 137 (1999).
28. G. Karlström, R. Lindh, P.-Å. Malmqvist, B. O. Roos, U. Ryde, V. Veryazov, P.-O. Widmark, M. Cossi, B. Schimmelpfennig, P. Neogrady, and L. Seijo, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/S0927-0256(03)00109-5 28, 222 (2003).
29. P. O. Widmark, P.-Å. Malmqvist, and B. O. Roos, Theor. Chim. Acta TCHAAM 0040-5744 10.1007/BF01120130 77, 291 (1990).
30. R. Pou-Amérigo, M. Merchán, I. Nebot-Gil, P.-O. Widmark, and B. O. Roos, Theor. Chim. Acta TCHAAM 0040-5744 10.1007/BF01114922 92, 149 (1995).
31. S. B. Piepho, E. R. Krausz, and P. N. Schatz, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja00478a011 100, 2996 (1978).
32. J.-J. Girerd, V. Papaefthymiou, K. K. Surerus, and E. Münck, Pure Appl. Chem. PACHAS 0033-4545 10.1351/pac198961050805 61, 805 (1989).
33. J.-J. Girerd, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.446021 79, 1766 (1983).
34. V. Papaefthymiou, J.-J. Girerd, I. Moura, J. J. G. Moura, and E. Münck, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja00249a037 109, 4703 (1987).
35. P. W. Anderson and H. Hasegawa, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.100.675 100, 675 (1955).
36. N. Guihéry and J.-P. Malrieu, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1614249 119, 8956 (2003).
37. N. Guihéry, Theor. Chem. Acc. TCACFW 1432-881X 10.1007/s00214-006-0103-7 116, 576 (2006).
38. D. Taratiel and N. Guihéry, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1614249 121, 7121 (2004).
39. J. van den Brink, G. Khaliullin, and D. I. Khomskii, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83.5118 83, 5118 (1999).