Influence of the interface atomic structure on the magnetic and electronic properties of La2/3 Sr1/3 MnO3 / SrTiO 3 (001 ) heterojunctions

Physical Review B - Condensed Matter and Materials Physics

Volumn 82, Issue 24, 2010, Pages

  Zheng, Bing ^a,b,c,e   Binggeli, Nadia ^a,d  

^a ABDUS SALAM INTERNATIONAL CENTRE FOR THEORETICAL PHYSICS   (Italy)

^b SINCROTRONE TRIESTE   (Italy)

^c JILIN UNIVERSITY   (China)

^d DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

^e UNIVERSITÉ CATHOLIQUE DE LOUVAIN   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 78651296303     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.82.245311     Document Type: Article

References (63)

1. M. Bibes and A. Barthelemy, IEEE Trans. Electron Devices 54, 1003 (2007). 10.1109/TED.2007.894366
2. R. Ramesh and N. A. Spaldin, Nature Mater. 6, 21 (2007). 10.1038/nmat1805
3. E. Dagotto, Nanoscale Phase Separation and Colossal Magnetoresistance (Spinger-Verlag, Berlin, 2003).
4. A. P. Ramirez, J. Phys.: Condens. Matter 9, 8171 (1997). 10.1088/0953-8984/9/39/005
5. J. M. D. Coey and C. L. Chien, MRS Bull. 28, 720 (2003).
6. K. Dörr, J. Phys. D: Appl. Phys. 39, R125 (2006). 10.1088/0022-3727/39/7/R01
7. S. A. Wolf, D. D. Awschalom, R. A. Buhrman, J. M. Daughton, S. von Molnár, M. L. Roukes, A. Y. Chthelkanova, and D. M. Treger, Science 294, 1488 (2001). 10.1126/science.1065389
8. E. Tsymbal, O. Mryasov, and P. Leclair, J. Phys.: Condens. Matter 15, R109 (2003). 10.1088/0953-8984/15/4/201
9. T. Kanki, Y.-G. Park, H. Tanaka, and T. Kawai, Appl. Phys. Lett. 83, 4860 (2003). 10.1063/1.1632028
10. Y. Lu, X. W. Li, G. Q. Gong, G. Xiao, A. Gupta, P. Lecoeur, J. Z. Sun, Y. Y. Wang, and V. P. Dravid, Phys. Rev. B 54, R8357 (1996). 10.1103/PhysRevB.54. R8357
11. J. Z. Sun, L. Krusin-Elbaum, P. R. Duncombe, A. Gupta, and R. B. Laibowitz, Appl. Phys. Lett. 70, 1769 (1997). 10.1063/1.118651
12. M. Bowen, M. Bibes, A. Barthelemy, J. P. Contour, A. Anane, Y. Lemaitre, and A. Fert, Appl. Phys. Lett. 82, 233 (2003). 10.1063/1.1534619
13. J. Z. Sun, W. J. Gallagher, P. R. Duncombe, L. Krusin-Elbaum, R. A. Altman, A. Gupta, Y. Lu, G. Q. Gong, and G. Xiao, Appl. Phys. Lett. 69, 3266 (1996). 10.1063/1.118031
14. See, e.g., M. Huijben, L. W. Martin, Y.-H. Chu, M. B. Holcomb, P. Yu, G. Rijnders, D. H. A. Blank, and R. Ramesh, Phys. Rev. B 78, 094413 (2008) 10.1103/PhysRevB.78.094413
15. See, e.g., A. Verna, B. A. Davidson, Y. Szeto, A Y. Petrov, A. Mirone, A. Giglia, N. Mahne, and S. Nannarone, J. Magn. Magn. Mater. 322, 1212 (2010) 10.1016/j.jmmm.2009.05.022
16. Y. Hikita, M. Nishikawa, T. Yajima, and H. Y. Hwang, Phys. Rev. B 79, 073101 (2009). 10.1103/PhysRevB.79.073101
17. M. Minohara, R. Yasuhara, H. Kumigashira, and M. Oshima, Phys. Rev. B 81, 235322 (2010). 10.1103/PhysRevB.81.235322
18. H. Yamada, Y. Ogawa, Y. Ishii, H. Sato, M. Kawasaki, H. Akoh, and Y. Tokura, Science 305, 646 (2004). 10.1126/science.1098867
19. Y. Ishii, H. Yamada, H. Sato, H. Akoh, Y. Ogawa, M. Kawasaki, and Y. Tokura, Appl. Phys. Lett. 89, 042509 (2006). 10.1063/1.2245442
20. V. Garcia, M. Bibes, A. Barthelemy, M. Bowen, E. Jacquet, J.-P. Contour, and A. Fert, Phys. Rev. B 69, 052403 (2004). 10.1103/PhysRevB.69.052403
21. R. Herger, P. R. Willmott, C. M. Schleputz, M. Bjorck, S. A. Pauli, D. Martoccia, B. D. Patterson, D. Kumah, R. Clarke, Y. Yacoby, and M. Döbeli, Phys. Rev. B 77, 085401 (2008). 10.1103/PhysRevB.77.085401
22. F. Pailloux, D. Imhoff, T. Sikora, A. Barthelemy, J. L. Maurice, J. P. Contour, C. Colliex, and A. Fert, Phys. Rev. B 66, 014417 (2002). 10.1103/PhysRevB.66.014417
23. H. Zenia, G. A. Gehring, and W. M. Temmerman, New J. Phys. 9, 105 (2007). 10.1088/1367-2630/9/4/105
24. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
25. V. I. Anisimov, F. Aruasetiawan, and A. I. Lichtenstein, J. Phys.: Condens. Matter 9, 767 (1997). 10.1088/0953-8984/9/4/002
26. S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, PWSCF codes of the QUANTUM ESPRESSO project, see http://www.quantum-espresso.org/
27. and P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitsonen, A. Smogunov, P. Umari, and R. M. Wentzcovitch, J. Phys.: Condens. Matter 21, 395502 (2009). 10.1088/0953-8984/21/39/395502
28. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990). 10.1103/PhysRevB.41.7892
29. The following reference atomic configurations were used for the generation of the pseudopotentials: 3 d 5 4 s 2 4 p 0 for Mn, 5 s 2 5 p 6 5 d 1 6 s 1.5 6 p 0.5 for La, 4 s 2 4 p 6 4 d 1 5 s 1 5 p 0 for Sr, 3 s 2 3 p 6 3 d 1 4 s 2 for Ti, and 2 s 2 2 p 4 for O. The nonlinear core correction to the exchange-correlation potential was included for Mn, La, and Sr.
30. B. Zheng and N. Binggeli, J. Phys.: Condens. Matter 21, 115602 (2009). 10.1088/0953-8984/21/11/115602
31. F. Tsui, M. C. Smoak, T. K. Nath, and C. B. Eom, Appl. Phys. Lett. 76, 2421 (2000). 10.1063/1.126363
32. J. C. Woicik, H. Li, P. Zschack, E. Karapetrova, P. Ryan, C. R. Ashman, and C. S. Hellberg, Phys. Rev. B 73, 024112 (2006). 10.1103/PhysRevB.73.024112
33. T. Geng and N. Zhang, Phys. Lett. A 351, 314 (2006).
34. From test calculations, we estimated the numerical uncertainty on the band alignment, due to neglecting atomic relaxation further away from the interface, as ∼ 0.1 eV.
35. K. van Benthem, C. Elsasser, and R. H. French, J. Appl. Phys. 90, 6156 (2001). 10.1063/1.1415766
36. A. Chikamatsu, Phys. Rev. B 73, 195105 (2006). 10.1103/PhysRevB.73.195105
37. J. Krempaský, Phys. Rev. B 77, 165120 (2008). 10.1103/PhysRevB.77. 165120
38. M. Peressi, N. Binggeli, and A. Baldereschi, J. Phys. D 31, 1273 (1998). 10.1088/0022-3727/31/11/002
39. J. Bardi, N. Binggeli, and A. Baldereschi, Phys. Rev. B 59, 8054 (1999). 10.1103/PhysRevB.59.8054
40. C. Berthod, N. Binggeli, and A. Baldereschi, Phys. Rev. B 68, 085323 (2003). 10.1103/PhysRevB.68.085323
41. p.
42. S. Baroni, R. Resta, A. Baldereschi, and M. Peressi, in Spectroscopy of Semiconductor Microstructures, edited by, G. Fasol, A. Fasolino, and P. Lugli, (Plenum, New York, 1989), pp. 251-271.
43. C. J. Fall, N. Binggeli, and A. Baldereschi, J. Phys.: Condens. Matter 11, 2689 (1999). 10.1088/0953-8984/11/13/006
44. C. Sgiarovello, N. Binggeli, and A. Baldereschi, Phys. Rev. B 64, 195305 (2001). 10.1103/PhysRevB.64.195305
45. P. Mavropoulos, M. Lezaic, and S. Blugel, Phys. Rev. B 72, 174428 (2005). 10.1103/PhysRevB.72.174428
46. W. E. Pickett, S. G. Louie, and M. L. Cohen, Phys. Rev. Lett. 39, 109 (1977). 10.1103/PhysRevLett.39.109
47. W. E. Pickett, S. G. Louie, and M. L. Cohen, Phys. Rev. B 17, 815 (1978). 10.1103/PhysRevB.17.815
48. G. Banach and W. M. Temmerman, Phys. Rev. B 69, 054427 (2004). 10.1103/PhysRevB.69.054427
49. K. Horiba, A. Chikamatsu, H. Kumigashira, M. Oshima, N. Nakagawa, M. Lippmaa, K. Ono, M. Kawasaki, and H. Koinuma, Phys. Rev. B 71, 155420 (2005). 10.1103/PhysRevB.71.155420
50. See, e.g., E. Dagotto, Nanoscale Phase Separation and Colossal Magnetoresistance (Ref.), Chap..
51. A. G. Petukhov, I. I. Mazin, L. Chioncel, and A. I. Lichtenstein, Phys. Rev. B 67, 153106 (2003). 10.1103/PhysRevB.67.153106
52. C. Ma, Z. Yang, and S. Picozzi, J. Phys.: Condens. Matter 18, 7717 (2006). 10.1088/0953-8984/18/32/019
53. J. L. Maurice, F. Pailloux, A. Barthelemy, O. Durand, D. Imhoff, R. Lyonnet, A. Rocher, and J. P. Contour, Philos. Mag. 83, 3201 (2003). 10.1080/14786430310001603436
54. I. I. Oleinik, E. Y. Tsymbal, and D. G. Pettifor, Phys. Rev. B 65, 020401 (2001). 10.1103/PhysRevB.65.020401
55. H. Kumigashira, A. Chikamatsu, R. Hashimoto, M. Oshima, T. Ohnishi, M. Lippmaa, H. Wadati, and A. Fujimori, Appl. Phys. Lett. 88, 192504 (2006). 10.1063/1.2202118
56. M. Bowen, J. Phys.: Condens. Matter 19, 315208 (2007). 10.1088/0953-8984/19/31/315208
57. 2 -terminated LSMO surface.
58. R. I. Eglitis and D. Vanderbilt, Phys. Rev. B 77, 195408 (2008). 10.1103/PhysRevB.77.195408
59. J. M. Pruneda, V. Ferrari, R. Rurali, P. B. Littlewood, N. A. Spaldin, and E. Artacho, Phys. Rev. Lett. 99, 226101 (2007). 10.1103/PhysRevLett.99. 226101
60. M. Mrovec, J.-M. Albina, B. Meyer, and C. Elsasser, Phys. Rev. B 79, 245121 (2009). 10.1103/PhysRevB.79.245121
61. E. P. Houwman, G. Maris, G. M. De Luca, N. Niermann, G. Rijnders, D. H. A. Blank, and S. Speller, Phys. Rev. B 77, 184412 (2008). 10.1103/PhysRevB.77. 184412
62. J. D. Burton and E. Y. Tsymbal, Phys. Rev. B 82, 161407 (2010). 10.1103/PhysRevB.82.161407
63. J. Bardi, N. Binggeli, and A. Baldereschi, Phys. Rev. B 61, 5416 (2000). 10.1103/PhysRevB.61.5416