Electronic properties of bulk and thin film SrRuO3: Search for the metal-insulator transition

Physical Review B - Condensed Matter and Materials Physics

Volumn 78, Issue 15, 2008, Pages

  Rondinelli, James M ^a   Caffrey, Nuala M ^b   Sanvito, Stefano ^b   Spaldin, Nicola A ^a  

^a University of California   (United States)

^b TRINITY COLLEGE DUBLIN   (Ireland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 54449090103     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.78.155107     Document Type: Article

References (85)

1. F. L. Marrec, A. Demuer, D. Jaccard, J.-M. Triscone, M. K. Lee, and C. B. Eom, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1459484 80, 2338 (2002).
2. K. S. Takahashi, A. Sawa, Y. Ishii, H. Akoh, M. Kawasaki, and Y. Tokura, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.094413 67, 094413 (2003).
3. W. J. Gallagher and S. S. P. Parkin, IBM J. Res. Dev. IBMJAE 0018-8646 50, 5 (2006).
4. H. N. Lee, H. M. Christen, M. F. Chisholm, C. M. Rouleau, and D. H. Lowndes, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1753650 84, 4107 (2004).
5. C. H. Ahn, R. H. Hammond, T. H. Geballe, M. R. Beasley, J.-M. Triscone, M. Decroux, O. Fischer, L. Antognazza, and K. Char, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.118203 70, 206 (1997).
6. K. S. Takahashi, M. Gabay, D. Jaccard, K. Shibuya, T. Ohnishi, M. Lippmaa, and J.-M. Triscone, Nature (London) NATUAS 0028-0836 10.1038/nature04731 441, 195 (2006).
7. I. Zutić, J. Fabian, and S. D. Sarma, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.76.323 76, 323 (2005).
8. D. Awschalom and M. Flatte, Nat. Phys. ZZZZZZ 1745-2473 3, 153 (2007).
9. N. A. Spaldin and M. Fiebig, Science SCIEAS 0036-8075 10.1126/science.1113357 309, 391 (2005).
10. R. Ramesh and N. A. Spaldin, Nature Mater. NMAACR 1476-1122 10.1038/nmat1805 6, 21 (2007).
11. A. Ohtomo, D. A. Muller, J. L. Grazul, and H. Y. Hwang, Nature (London) NATUAS 0028-0836 10.1038/nature00977 419, 378 (2002).
12. A. Ohtomo and H. Y. Hwang, Nature (London) NATUAS 0028-0836 10.1038/nature02308 427, 423 (2004).
13. H. Y. Hwang, Science SCIEAS 0036-8075 10.1126/science.1133138 313, 1895 (2006).
14. M. Huijben, G. Rijnders, D. H. A. Blank, S. Bals, S. V. Aert, J. Verbeeck, G. V. Tendeloo, A. Brinkman, and H. Hilgenkamp, Nature Mater. NMAACR 1476-1122 10.1038/nmat1675 5, 556 (2006).
15. H. Yamada, Y. Ogawa, Y. Ishii, H. Sato, M. Kawasaki, H. Akoh, and Y. Tokura, Science SCIEAS 0036-8075 10.1126/science.1098867 305, 646 (2004).
16. J. M. De Teresa, A. Barthélémy, A. Fert, J. P. Contour, F. Montaigne, and P. Seneor, Science SCIEAS 0036-8075 10.1126/science.286.5439.507 286, 507 (1999).
17. A. Brinkman, M. Huijben, M. van Zalk, J. Huijben, U. Zeitler, J. C. Maan, W. G. van der Wiel, G. Rijnders, D. H. A. Blank, and H. Hilgenkamp, Nature Mater. NMAACR 1476-1122 10.1038/nmat1931 6, 493 (2007).
18. D. Toyota, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2108123 87, 162508 (2005).
19. H.-D. Kim, H.-J. Noh, K. H. Kim, and S.-J. Oh, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.126404 93, 126404 (2004).
20. J. Park, S.-J. Oh, J.-H. Park, D. M. Kim, and C.-B. Eom, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.085108 69, 085108 (2004).
21. W. Siemons, G. Koster, A. Vailionis, H. Yamamoto, D. H. A. Blank, and M. R. Beasley, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.76.075126 76, 075126 (2007).
22. P. B. Allen, H. Berger, O. Chauvet, L. Forro, T. Jarlborg, A. Junod, B. Revaz, and G. Santi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.53.4393 53, 4393 (1996).
23. P. Kostic, Y. Okada, N. C. Collins, Z. Schlesinger, J. W. Reiner, L. Klein, A. Kapitulnik, T. H. Geballe, and M. R. Beasley, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.81.2498 81, 2498 (1998).
24. G. Cao, S. McCall, M. Shepard, J. E. Crow, and R. P. Guertin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.321 56, 321 (1997).
25. K. Maiti, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.235110 73, 235110 (2006).
26. K. Maiti and R. S. Singh, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.161102 71, 161102 (R) (2005).
27. H.-T. Jeng, S.-H. Lin, and C.-S. Hsue, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.067002 97, 067002 (2006).
28. A. T. Zayak, X. Huang, J. B. Neaton, and K. M. Rabe, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.094104 74, 094104 (2006).
29. V. M. Goldschmidt, Naturwiss. NATWAY 0028-1042 10.1007/BF01507527 14, 477 (1926).
30. N. Fukunaga and N. Tsuda, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.63.3798 63, 3798 (1994).
31. A. Kanbayasi, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.41.1876 41, 1876 (1976).
32. D. J. Singh, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.361618 79, 4818 (1996).
33. I. I. Mazin and D. J. Singh, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.2556 56, 2556 (1997).
34. G. Santi and T. Jarlborg, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/9/44/012 9, 9563 (1997).
35. W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
36. J. M. Soler, E. Artacho, J. D. Gale, A. García, J. Junquera, P. Ordejón, and D. Sánchez-Portal, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/11/302 14, 2745 (2002).
37. D. Sánchez-Portal, P. Ordejón, E. Artacho, and J. M. Soler, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/(SICI)1097-461X(1997)65: 5<453::AID-QUA9>3.0.CO;2-V 65, 453 (1997).
38. P. Ordejón, E. Artacho, and J. M. Soler, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.53.R10441 53, R10441 (1996).
39. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
40. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
41. J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
42. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
43. P. E. Blöchl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
44. We used 10 valence electrons for Sr (4 s2 4 p6 5 s2), 14 for Ru (4 p6 4 d7 5 s1), and 6 for each oxygen (2 s2 2 p4).
45. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
46. P. E. Blöchl, O. Jepsen, and O. K. Andersen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.49.16223 49, 16223 (1994).
47. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425 48, 1425 (1982).
48. N. Troullier and J. L. Martins, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.1993 43, 1993 (1991).
49. The electronic configurations for each atom is Sr4 s2 4 p6 4 d0 4 f0 (1.50, 1.50, 2.00, 2.00), Ru4 s2 4 p6 4 d7 4 f0 (1.30, 1.30, 1.40, 1.30), and O2 s2 2 p4 3 d0 4 f0 (1.15, 1.15, 1.15, 1.50), where the cutoff radii for each orbital is given in parentheses.
50. The grid cutoff mentioned is not directly comparable to the plane-wave cutoff value used to represent the wave functions in a standard plane-wave implementation of DFT; it is rather used here to represent the density, and is typically four times larger than the wave function cutoff.
51. B. C. Chakoumakos, S. E. Nagler, S. T. Misture, and H. M. Christen, Physica B (Amsterdam) 241-243, 358 (1997). 0921-4526
52. V. I. Anisimov, F. Aryasetiawan, and A. I. Liechtenstein, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/9/4/002 9, 767 (1997).
53. S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.57.1505 57, 1505 (1998).
54. A. G. Petukhov, I. I. Mazin, L. Chioncel, and A. I. Lichtenstein, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.153106 67, 153106 (2003).
55. A. Filippetti and N. A. Spaldin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.125109 67, 125109 (2003).
56. D. Vogel, P. Krüger, and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.5495 54, 5495 (1996).
57. C. D. Pemmaraju, T. Archer, D. Sánchez-Portal, and S. Sanvito, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.75.045101 75, 045101 (2007).
58. M. Stengel and N. A. Spaldin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.77.155106 77, 155106 (2008).
59. C. W. Jones, P. D. Battle, P. Lightfoot, and W. T. A. Harrison, Acta Crystallogr., Sect. C: Cryst. Struct. Commun. ACSCEE 0108-2701 10.1107/S0108270188012077 45, 365 (1989).
60. Although in this symmetry the RuO6 cages are rotated, we retain the standard spherical harmonics for the 4d orbitals described in terms of an octahedral crystal field for a cubic perovskite. The transformation from the cubic to orthorhombic d orbital reference frame requires a rotation of π/4 about the [001] direction; additionally, the octahedral units retain almost all of their integrity; i.e., the apical and axial Ru-O bond lengths are identical within 0.01 Å.
61. L. Klein, J. S. Dodge, C. H. Ahn, J. W. Reiner, L. Mieville, T. H. Geballe, M. R. Beasley, and A. Kapitulnik, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/8/48/026 8, 10111 (1996).
62. J. Okamoto, T. Mizokawa, A. Fujimori, I. Hase, M. Nohara, H. Takagi, Y. Takeda, and M. Takano, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.2281 60, 2281 (1999).
63. K. Fujioka, J. Okamoto, T. Mizokawa, A. Fujimori, I. Hase, M. Abbate, H. J. Lin, C. T. Chen, Y. Takeda, and M. Takano, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.6380 56, 6380 (1997).
64. J. Okamoto (unpublished)
65. The material preparation and characterization follows that outlined in J. Okamoto, T. Mizokawa, A. Fujimori, I. Hase, M. Nohara, H. Takagi, Y. Takeda, and M. Takano, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.2281 60, 2281 (1999).
66. Reused with permission from D. Toyota, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2108123 87 162508 (2005). Copyright 2005, American Institute of Physics.
67. J. Kim, J. Chung, and S.-J. Oh, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.121406 71, 121406 (R) (2005).
68. H. Kumigashira, M. Minohara, M. Takizawa, A. Fujimori, D. Toyota, I. Ohkubo, M. Oshima, M. Lippmaa, and M. Kawasaki, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2899943 92, 122105 (2008).
69. G. Herranz, N. Dix, F. Sánchez, B. Martínez, J. Fontcuberta, M. V. García-Cuenca, C. Ferrater, M. Varela, D. Hrabovsky, and A. R. Fert, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1861552 97, 10M321 (2005).
70. D. C. Worledge and T. H. Geballe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.5182 85, 5182 (2000).
71. I. I. Mazin, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83. 1427 83, 1427 (1999).
72. J. M. D. Coey and S. Sanvito, J. Phys. D JPAPBE 0022-3727 10.1088/0022-3727/37/7/005 37, 988 (2004).
73. A. F. Andreev, Sov. Phys. JETP 19, 1228 (1964). 0038-5646
74. J. Soulen, Jr., Science SCIEAS 0036-8075 10.1126/science.282.5386.85 282, 85 (1998).
75. S. K. Upadhyay, A. Palanisami, R. N. Louie, and R. A. Buhrman, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.81.3247 81, 3247 (1998).
76. P. Raychaudhuri, A. P. Mackenzie, J. W. Reiner, and M. R. Beasley, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.020411 67, 020411 (R) (2003).
77. B. Nadgorny, M. S. Osofsky, D. J. Singh, G. T. Woods, J. R. J. Soulen, M. K. Lee, S. D. Bu, and C. B. Eom, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1539551 82, 427 (2003).
78. J. Sanders, G. T. Woods, P. Poddar, H. Srikanth, B. D. Ski, and S. Kolesnik, Proceedings of the 49th Annual Conference on Magnetism and Magnetic Materials Vol. 97, 2005 (unpublished), p. 10C912.
79. A. R. Rocha, V. M. Garcia-Suarez, S. Bailey, C. Lambert, J. Ferrer, and S. Sanvito, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.085414 73, 085414 (2006).
80. The Brillouin zone was sampled in these cases with a 20×20×1 Monkhorst-Pack mesh for the orthorhombic structure and a 40×40×1 mesh for the cubic structure.
81. F. Taddei, S. Sanvito, and C. Lambert, J. Low Temp. Phys. JLTPAC 0022-2291 10.1023/A:1017546406402 124, 305 (2001).
82. G. Rijnders, D. H. A. Blank, J. Choi, and C.-B. Eom, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1640472 84, 505 (2004).
83. D. Toyota, I. Ohkubo, H. Kumigashira, M. Oshima, T. Ohnishi, M. Lippmaa, M. Kawasaki, and H. Koinuma, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.2165140 99, 08N505 (2006).
84. Q. Gan, R. A. Rao, C. B. Eom, J. L. Garrett, and M. Lee, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.120603 72, 978 (1998).
85. Complete structural relaxation of the three-unit-cell slab within the orthorhombic symmetry did not produce significant changes in the electronic or magnetic structure.