High-temperature superconductivity in layered nitrides β-Li xMNCl (M = Ti, Zr, Hf): Insights from density functional theory for superconductors

Physical Review B - Condensed Matter and Materials Physics

Volumn 86, Issue 5, 2012, Pages

  Akashi, Ryosuke ^a   Nakamura, Kazuma ^a,b   Arita, Ryotaro ^a,b   Imada, Masatoshi ^a,b  

^a UNIVERSITY OF TOKYO   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84865250454     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.86.054513     Document Type: Article

References (91)

1. J. G. Bednorz and K. A. Muller, Z. Phys. B ZPCMDN 0722-3277 10.1007/BF01303701 64, 189 (1986).
2. S. Yamanaka, H. Kawaji, K. Hotehama, and M. Ohashi, Adv. Mater. ADVMEW 0935-9648 10.1002/adma.19960080917 8, 771 (1996).
3. S. Yamanaka, K. Hotehama, and H. Kawaji, Nature (London) NATUAS 0028-0836 10.1038/33362 392, 580 (1998). (Pubitemid 28207709)
4. S. Yamanaka, J. Mater. Chem. JMACEP 0959-9428 10.1039/b922149b 20, 2922 (2010).
5. A. B. Migdal, Sov. Phys. JETP 7, 996 (1958).
6. G. M. Eliashberg, Sov. Phys. JETP 11, 696 (1960).
7. D. J. Scalapino, in Superconductivity, edited by, R. D. Parks, Vol. 1 (Marcel Dekker, New York, 1969).
8. J. R. Schrieffer, Theory of Superconductivity (Westview, Colorado, 1971).
9. L. Boeri, O. V. Dolgov, and A. A. Golubov, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.101.026403 101, 026403 (2008).
10. H. Tou, Y. Maniwa, and S. Yamanaka, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.67.100509 67, 100509 (R) (2003).
11. H. Tou, S. Oshiro, H. Kotegawa, Y. Taguchi, Y. Kishiume, Y. Kasahara, and Y. Iwasa, Physica C PHYCE6 0921-4534 10.1016/j.physc.2009.11.118 470, S658 (2010).
12. T. Ekino, T. Takasaki, T. Muranaka, H. Fujii, J. Akimitsu, and S. Yamanaka, Physica B PHYBE3 0921-4526 10.1016/S0921-4526(02)01801-X 328, 23 (2003).
13. T. Takasaki, T. Ekino, H. Fujii, and S. Yamanaka, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.74.2586 74, 2586 (2005). (Pubitemid 41341323)
14. T. Takasaki, T. Ekino, A. Sugimoto, K. Shohara, S. Yamanaka, and A. M. Gabovich, Eur. Phys. J. B EPJBFY 1434-6028 10.1140/epjb/e2010-00035-4 73, 471 (2010).
15. H. Tou, Y. Maniwa, T. Koiwasaki, and S. Yamanaka, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.5775 86, 5775 (2001). (Pubitemid 32577027)
16. Y. Taguchi, M. Hisakabe, and Y. Iwasa, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.217002 94, 217002 (2005). (Pubitemid 41638017)
17. Y. Taguchi, T. Kawabata, T. Takano, A. Kitora, K. Kato, M. Takata, and Y. Iwasa, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.064508 76, 064508 (2007).
18. J. Bardeen, L. N. Cooper, and J. R. Schrieffer, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.108.1175 108, 1175 (1957).
19. Y. Taguchi, A. Kitora, and Y. Iwasa, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.107001 97, 107001 (2006). (Pubitemid 44359792)
20. T. Takano, T. Kishiume, Y. Taguchi, and Y. Iwasa, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.247005 100, 247005 (2008).
21. Y. Kasahara, T. Kishiume, T. Takano, K. Kobayashi, E. Matsuoka, H. Onodera, K. Kuroki, Y. Taguchi, and Y. Iwasa, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103.077004 103, 077004 (2009).
22. H. Tou, M. Sera, Y. Maniwa, and S. Yamanaka, Int. J. Mod. Phys. B IJPBEV 0217-9792 10.1142/S0217979207044512 21, 3340 (2007).
23. H. Kotegawa (unpublished).
24. M. Hiraishi, R. Kadono, M. Miyazaki, S. Takeshita, Y. Taguchi, Y. Kasahara, T. Takano, T. Kishiume, and Y. Iwasa, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.014525 81, 014525 (2010).
25. K. Kuroki, Sci. Tech. Adv. Mater. 1878-5514 10.1088/1468-6996/9/4/044202 9, 044202 (2008).
26. K. Kuroki, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.104502 81, 104502 (2010).
27. S. Choi, H. Aizawa, and K. Kuroki, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/j.jpcs.2010.10.021 72, 376 (2011).
28. Q. Yin, E. R. Ylvisaker, and W. E. Pickett, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.014509 83, 014509 (2011).
29. R. Heid and K. P. Bohnen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.72.134527 72, 134527 (2005). (Pubitemid 43033092)
30. G. Bergmann and D. Rainer, Z. Phys. EPJAFV 1434-6001 10.1007/BF02351862 263, 59 (1973).
31. P. Morel and P. W. Anderson, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.125.1263 125, 1263 (1962);
32. N. N. Bogoliubov, V. V. Tolmachev, and D. V. Shirkov, A New Method in the Theory of Superconductivity (1958) (translated from Russian: Consultants Bureau, Inc., New York, 1959).
33. R. Weht, A. Filippetti, and W. E. Pickett, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i1999-00484-4 48, 320 (1999).
34. G. D. Gaspari and B. L. Gyorffy, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.28.801 28, 801 (1972).
35. B. M. Klein and W. E. Pickett, in Superconductivity in d- and f-Band Metals, edited by, W. Buckel, and, W. Weber, (Kernforschungszentrum Karlsruhe, Karlsruhe, 1982), p. 477
36. Z. P. Yin, A. Kutepov, and G. Kotliar, arXiv: 1110.5751.
37. J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1564060 118, 8207 (2003);
38. J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2204597 124, 219906 (E) (2006). (Pubitemid 43877849)
39. W. L. McMillan, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.167.331 167, 331 (1968).
40. P. B. Allen and R. C. Dynes, Phys. Rev. B 1098-0121 10.1103/PhysRevB.12. 905 12, 905 (1975).
41. J. P. Carbotte, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.62. 1027 62, 1027 (1990).
42. A. Bill, H. Morawitz, and V. Z. Kresin, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.66.100501 66, 100501 (R) (2002).
43. V. E. Kravtsov, arXiv: 1109.2515.
44. I. S. Burmistrov, I. V. Gornyi, and A. D. Mirlin, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.108.017002 108, 017002 (2012).
45. K. H. Lee, K. J. Chang, and M. L. Cohen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.52.1425 52, 1425 (1995).
46. M. Lüders, M. A. L. Marques, N. N. Lathiotakis, A. Floris, G. Profeta, L. Fast, A. Continenza, S. Massidda, and E. K. U. Gross, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.72.024545 72, 024545 (2005). (Pubitemid 43406428)
47. L. N. Oliveira, E. K. U. Gross, and W. Kohn, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.60.2430 60, 2430 (1988).
48. M. A. L. Marques, M. Lüders, N. N. Lathiotakis, G. Profeta, A. Floris, L. Fast, A. Continenza, E. K. U. Gross, and S. Massidda, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.72.024546 72, 024546 (2005). (Pubitemid 41506844)
49. A. Floris, G. Profeta, N. N. Lathiotakis, M. Lüders, M. A. L. Marques, C. Franchini, E. K. U. Gross, A. Continenza, and S. Massidda, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.037004 94, 037004 (2005). (Pubitemid 40618441)
50. A. Sanna, G. Profeta, A. Floris, A. Marini, E. K. U. Gross, and S. Massidda, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.020511 75, 020511 (R) (2007).
51. G. Profeta, C. Franchini, N. N. Lathiotakis, A. Floris, A. Sanna, M. A. L. Marques, M. Lüders, S. Massidda, E. K. U. Gross, and A. Continenza, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.047003 96, 047003 (2006). (Pubitemid 43270933)
52. C. Bersier, A. Floris, A. Sanna, G. Profeta, A. Continenza, E. K. U. Gross, and S. Massidda, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.104503 79, 104503 (2009).
53. S. Massidda, F. Bernardini, C. Bersier, A. Continenza, P. Cudazzo, A. Floris, H. Glawe, M. Monni, S. Pittalis, G. Profeta, A. Sanna, S. Sharma, and E. K. U. Gross, Supercond. Sci. Technol. SUSTEF 0953-2048 10.1088/0953-2048/22/3/ 034006 22, 034006 (2009).
54. More detailed discussion about the correspondence of the kernels are in Ref.
55. A. Görling and M. Levy, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.50.196 50, 196 (1994).
56. M. S. Hybertsen and S. G. Louie, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.35.5585 35, 5585 (1987);
57. M. S. Hybertsen and S. G. Louie, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.35.5602 35, 5602 (1987).
58. R. M. Pick, M. H. Cohen, and R. M. Martin, Phys. Rev. B 1098-0121 10.1103/PhysRevB.1.910 1, 910 (1970).
59. S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.73.515 73, 515 (2001).
60. n k to the closest value.
61. G. Lehmann and M. Taut, Phys. Status Solidi PSSBBD 0370-1972 10.1002/pssb.2220540211 54, 469 (1972);
62. P. E. Blochl, O. Jepsen, and O. K. Andersen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.49.16223 49, 16223 (1994).
63. M. Kawamura, Y. Gohda, and S. Tsuneyuki (unpublished).
64. K. H. Lee and K. J. Chang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.1419 54, 1419 (1996).
65. N. W. Ashcroft and N. D. Mermin, Solid State Physics (Thomson Learning, Singapore, 1976).
66. Another source of error is an assumption imposed in the derivation of Eq. cited in Ref., which corresponds to an assumption that the momentum average of the screened Coulomb interaction times density of states is constant. The drawback of this treatment is not clear.
67. 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. Fabris, G. Fratesi, S. de Gironcoli, 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 JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502 21, 395502 (2009);
68. http://www.quantum-espresso.org/.
69. J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.23.5048 23, 5048 (1981).
70. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
71. N. Troullier and J. L. Martins, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.43.1993 43, 1993 (1991).
72. D. D. Koelling and B. N. Harmons, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/10/16/019 10, 3107 (1977).
73. S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.26.1738 26, 1738 (1982).
74. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 1098-0121 10.1103/PhysRevB.13.5188 13, 5188 (1976).
75. M. Methfessel and A. T. Paxton, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.40.3616 40, 3616 (1989).
76. S. Shamoto, T. Kato, Y. Ono, Y. Miyazaki, K. Ohoyama, M. Ohashi, Y. Yamaguchi, and T. Kajitani, Physica C PHYCE6 0921-4534 10.1016/S0921-4534(98) 00357-8 306, 7 (1998).
77. P. Adelmann, B. Renker, H. Schober, and F. Fernandez-Diaz, J. Low Temp. Phys. JLTPAC 0022-2291 10.1023/A:1022598423200 117, 449 (1999).
78. X. Chen, L. Zhu, and S. Yamanaka, J. Solid State Chem. JSSCBI 0022-4596 10.1016/S0022-4596(02)00034-8 169, 149 (2002).
79. X. Chen, T. Koiwasaki, and S. Yamanaka, J. Solid State Chem. JSSCBI 0022-4596 10.1006/jssc.2001.9134 159, 80 (2001). (Pubitemid 32912599)
80. S. Istomin, J. Köhler, and A. Simon, Physica C PHYCE6 0921-4534 10.1016/S0921-4534(99)00298-1 319, 219 (1999).
81. A. Fuertes, M. Vlassov, D. Beltrán-Porter, P. Alemany, E. Canadell, N. Casañ-Pastor, and M. R. Palacin, Chem. Mater. CMATEX 0897-4756 10.1021/cm9810133 11, 203 (1999).
82. S. Shamoto, K. Takeuchi, S. Yamanaka, and T. Kajitani, Physica C PHYCE6 0921-4534 10.1016/j.physc.2003.10.006 402, 283 (2004).
83. H. Sugimoto and T. Oguchi, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.73.2771 73, 2771 (2004). (Pubitemid 40803641)
84. C. Felser and R. Seshadri, J. Mater. Chem. JMACEP 0959-9428 10.1039/a808127a 9, 459 (1999).
85. - 1).
86. K. Hotehama, T. Koiwasaki, K. Umemoto, S. Yamanaka, and H. Tou, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.79.014707 79, 014707 (2010).
87. H. Kawaji, K. Hotehama, and S. Yamanaka, Chem. Mater. CMATEX 0897-4756 10.1021/cm970211b 9, 2127 (1997).
88. Y. Kasahara, T. Kishiume, K. Kobayashi, Y. Taguchi, and Y. Iwasa, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.054504 82, 054504 (2010).
89. T. Takano, Y. Kasahara, T. Oguchi, I. Hase, Y. Taguchi, and Y. Iwasa, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.80.023702 80, 023702 (2011).
90. J. Laflamme Janssen, M. Côté, S. G. Louie, and M. L. Cohen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.073106 81, 073106 (2010).
91. A. Cros, A. Cantarero, D. Beltrán-Porter, J. Oró- Solé, and A. Fuertes, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.67. 104502 67, 104502 (2003).