Electronic band structure, Fermi surface, and elastic properties of polymorphs of the 5.2 K iron-free superconductor SrPt2As2 from first-principles calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 83, Issue 10, 2011, Pages

  Shein, I R ^a   Ivanovskii, A L ^a  

^a INSTITUTE OF SOLID STATE CHEMISTRY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79961046002     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.83.104501     Document Type: Article

References (69)

1. Y. Kamihara, T. Watanabe, M. Hirano, and H. Hosono, J. Am. Chem. Soc. 0002-7863 10.1021/ja800073m 130, 3296 (2008). (Pubitemid 351456027)
2. M. Rotter, M. Tegel, and D. Johrendt, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.101.107006 101, 107006 (2008).
3. M. Rotter, M. Tegel, D. Johrendt, I. Schellenberg, W. Hermes, and R. Pöttgen, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.78.020503 78, 020503 (R) (2008).
4. D. Kasinathan, A. Ormeci, K. Koch, U. Burkhardt, W. Schnelle, A. Leithe-Jasper, and H. Rosner, New J. Phys. NJOPFM 1367-2630 10.1088/1367-2630/ 11/2/025023 11, 025023 (2009)
5. C. Krellner, N. Caroca-Canales, A. Jesche, H. Rosner, A. Ormeci, and C. Geibel, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.78.100504 78, 100504 (R) (2008).
6. M. V. Sadovskii, Phys. Usp. PHUSEY 1063-7869 10.1070/ PU2008v051n12ABEH006820 51, 1201 (2008).
7. A. L. Ivanovskii, Phys. Usp. PHUSEY 1063-7869 10.1070/ PU2008v051n12ABEH006703 51, 1229 (2008).
8. H. Hiramatsu, T. Kamiya, M. Hirano, and H. Hosono, Physica C 0921-4534 10.1016/j.physc.2009.03.026 469, 657 (2009).
9. P. C. Canfield and S. L. Bud'ko, Annu. Rev. Condens. Matter Phys. 1947-5454 10.1146/annurev-conmatphys-070909-104041 1, 27 (2010).
10. E. D. Mun, S. L. Bud'ko, N. Ni, A. N. Thaler, and P. C. Canfield, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.80.054517 80, 054517 (2009)
11. C. Liu, T. Kondo, R. M. Fernandes, A. D. Palczewski, E. D. Mun, N. Ni, A. N. Thaler, A. Bostwick, E. Rotenberg, J. Schmalian, S. L. Bud'ko, P. C. Canfield, and A. Kaminski, Nature Phys. 1745-2473 10.1038/nphys1656 6, 419 (2010).
12. S. R. Saha, N. P. Butch, K. Kirshenbaum, and J. Paglione, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.79.224519 79, 224519 (2009).
13. F. Han, X. Zhu, P. Cheng, G. Mu, Y. Jia, L. Fang, Y. Wang, H. Luo, B. Zeng, B. Shen, L. Shan, C. Ren, and H. H. Wen, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.80.024506 80, 024506 (2009).
14. W. Schnelle, A. Leithe-Jasper, R. Gumeniuk, U. Burkhardt, D. Kasinathan, and H. Rosner, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.79.214516 79, 214516 (2009).
15. A. Leithe-Jasper, W. Schnelle, C. Geibel, and H. Rosner, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.101.207004 101, 207004 (2008).
16. N. Ni, A. Thaler, A. Kracher, J. Q. Yan, S. L. Bud'ko, and P. C. Canfield, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.80.024511 80, 024511 (2009).
17. A. Hellmann, A. Löhken, A. Wurth, and A. Mewis, Z. Naturforsch. 62b, 155 (2007).
18. T. Mine, H. Yanagi, T. Kamiya, Y. Kamihara, M. Hirano, and H. Hosono, Solid State Commun. SSCOA4 0038-1098 10.1016/j.ssc.2008.05.010 147, 111 (2008).
19. F. Ronning, N. Kurita, E. D. Bauer, B. L. Scott, T. Park, T. Klimczuk, R. Movshovich, and J. D. Thompson, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/20/34/342203 20, 342203 (2008).
20. E. D. Bauer, F. Ronning, B. L. Scott, and J. D. Thompson, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.78.172504 78, 172504 (2008).
21. R. Nath, Y. Singh, and D. C. Johnston, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.79.174513 79, 174513 (2009).
22. Y. Singh, Y. Lee, S. Nandi, A. Kreyssig, A. Ellern, S. Das, R. Nath, B. N. Harmon, A. I. Goldman, and D. C. Johnston, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.78.104512 78, 104512 (2008).
23. I. R. Shein and A. L. Ivanovskii, Solid State Commun. SSCOA4 0038-1098 10.1016/j.ssc.2009.05.047 149, 1860 (2009).
24. I. R. Shein and A. L. Ivanovskii, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.79.054510 79, 054510 (2009).
25. Z. G. Chen, G. Xu, W. Z. Hu, X. D. Zhang, P. Zheng, G. F. Chen, J. L. Luo, Z. Fang, and N. L. Wang, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.80. 094506 80, 094506 (2009).
26. N. Kurita, F. Ronning, Y. Tokiwa, E. D. Bauer, A. Subedi, D. J. Singh, J. D. Thompson, and R. Movshovich, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.102.147004 102, 147004 (2009).
27. I. R. Shein and A. L. Ivanovskii, Phys. Solid State PSOSED 1063-7834 10.1134/S1063783410010026 52, 6 (2010).
28. S. R. Saha, T. Drye, K. Kirshenbaum, N. P. Butch, P. Y. Zavalij, and J. Paglione, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/22/7/072204 22, 072204 (2010).
29. X. Zhu, F. Han, G. Mu, P. Cheng, J. Tang, J. Ju, K. Tanigaki, and H. H. Wen, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.81.104525 81, 104525 (2010).
30. K. Kirshenbaum, S. R. Saha, T. Drye, and J. Paglione, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.82.144518 82, 144518 (2010).
31. K. Kudo, Y. Nishikubo, and M. Nohara, J. Phys. Soc. Jpn. 0031-9015 10.1143/JPSJ.79.123710 79, 123710 (2010).
32. A. Imre, A. Hellmann, G. Wenski, J. Graf, D. Johrendt, and A. Mewis, Z. Anorg. Allg. Chem. ZAACAB 0044-2313 10.1002/zaac.200700302 633, 2037 (2007).
33. P. Blaha, K. Schwarz, G. K. H. Madsen, D. Kvasnicka, and J. Luitz, computer code wien2k, (Vienna University of Technology, Vienna, 2001)
34. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
35. P. E. Blöchl, O. Jepsen, and O. K. Andersen, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.49.16223 49, 16223 (1994).
36. R. F. W. Bader, Atoms in Molecules: A Quantum Theory, International Series of Monographs on Chemistry (Clarendon Press, Oxford, 1990).
37. G. Kresse and D. Joubert, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
38. G. Kresse and J. Furthmuller, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996).
39. I. A. Nekrasov, Z. V. Pchelkina, and M. V. Sadovskii, JETP Lett. JTPLA2 0021-3640 10.1134/S0021364008140166 88, 144 (2008).
40. D. J. Singh, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.78.094511 78, 094511 (2008).
41. I. R. Shein and A. L. Ivanovskii, JETP Lett. JTPLA2 0021-3640 10.1134/S0021364009070108 89, 357 (2009).
42. A. L. Ivanovskii, J. Struct. Chem. 0022-4766 10.1007/s10947-009-0082-3 50, 539 (2009).
43. I. R. Shein and A. L. Ivanovskii, Physica B 0921-4526 10.1016/j.physb.2010.04.039 405, 3213 (2010).
44. A. Subedi and D. J. Singh, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.78.132511 78, 132511 (2008)
45. I. A. Nekrasov, and M. V. Sadovskii, JETP Lett. 0021-3640 10.1134/S0021364010230074 92, 751 (2010).
46. [http://www.physics.ucdavis.edu/~mindlab]
47. J. Kortus, I. I. Mazin, K. D. Belashchenko, V. P. Antropov, and L. L. Boyer, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.4656 86, 4656 (2001). (Pubitemid 32471406)
48. P. B. Allen, W. E. Pickett, and H. Krakauer, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.37.7482 37, 7482 (1988).
49. A. Subedi, D. J. Singh, and M. H. Du, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.78.060506 78, 060506 (2008).
50. I. R. Shein and A. L. Ivanovskii, J. Struct. Chem. 0022-4766 10.1007/s10947-009-0083-2 50, 552 (2009).
51. T. Yildirim, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.102. 037003 102, 037003 (2009).
52. T. Klimczuk, T. M. McQueen, A. J. Williams, Q. Huang, F. Ronning, E. D. Bauer, J. D. Thompson, M. A. Green, and R. J. Cava, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.79.012505 79, 012505 (2009).
53. I. R. Shein and A. L. Ivanovskii, JETP Lett. JTPLA2 0021-3640 10.1134/S0021364009060058 89, 285 (2009).
54. M. J. Mehl, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.47.2493 47, 2493 (1993).
55. J.F. Nye, Physical Properties of Crystals (Oxford University Press, Oxford, 1985).
56. Z. J. Wu, E. J. Zhao, H. P. Xiang, X. F. Hao, X. J. Liu, and J. Meng, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.76.054115 76, 054115 (2007).
57. R. Hill, Proc. Phys. Soc. London A 0370-1298 10.1088/0370-1298/65/5/307 65, 349 (1952).
58. D.H. Chung, Philos. Mag. PHMAA4 1478-6435 10.1080/14786436308213840 8, 833 (1963).
59. G. Grimvall, Thermophysical Properties of Materials (North-Holland, Amsterdam, 1986).
60. S. F. Pugh, Philos. Mag. 45, 823 (1953).
61. P. Ravindran, L. Fast, P. A. Korzhavyi, B. Johansson, J. Wills, and O. Eriksson, J. Appl. Phys. 0021-8979 10.1063/1.368733 84, 4891 (1998).
62. M. Kachanov, Intern. J. Fracture 97, 157 (1998).
63. S. I. Ranganathan and M. Ostoja-Starzewski, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.101.055504 101, 055504 (2008)
64. I. R. Shein, and A. L. Ivanovskii, Scripta Mater. 1359-6462 10.1016/j.scriptamat.2008.07.028 59, 1099 (2008).
65. M. Mito, M. J. Pitcher, W. Crichton, G. Garbarino, P. J. Baker, S. J. Blundell, P. Adamson, D. R. Parker, and S. J. Clarke, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja808914a 131, 2986 (2009).
66. I. R. Shein and A. L. Ivanovskii, Tech. Phys. Lett. TPLEED 1063-7850 10.1134/S1063785009100253 35, 961 (2009).
67. M. Aftabuzzaman, A. K. M. A. Islam, and S. H. Naqib, e-print arXiv: 0909.2914.
68. I. R. Shein and A. L. Ivanovskii, Physica C 0921-4534 10.1016/j.physc.2008.10.003 469, 15 (2009).
69. A. Martinelli, M. Ferrett, A. Palenzona, and M. Merlini, Physica C 0921-4534 10.1016/j.physc.2009.04.011 469, 782 (2009).