Structural, elastic and electronic properties of superconducting anti-perovskites MgCNi3, ZnCNi3 and CdCNi3 from first principles

Physica C: Superconductivity and its Applications

Volumn 468, Issue 1, 2008, Pages 1-6

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

^a INSTITUTE OF SOLID STATE CHEMISTRY   (Russian Federation)

Author keywords

71.15.Mb; 74.25.Jb; 74.25.Ld; Elastic properties; Electronic properties; FP LAPW GGA; Superconducting anti perovskites

Indexed keywords

APPROXIMATION THEORY; CORRELATION METHODS; ELECTRONIC PROPERTIES; GRADIENT METHODS; PEROVSKITE; SUPERCONDUCTING DEVICES;

ELASTIC PROPERTIES; FP-LAPW-GGA; GENERALIZED GRADIENT APPROXIMATION (GGA); SUPERCONDUCTING ANTI-PEROVSKITES;

MAGNESIUM COMPOUNDS;

EID: 37649001660     PISSN: 09214534     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physc.2007.08.004     Document Type: Article

References (29)

1. He T., Huang Q., Ramirez A.P., Wang Y., Regan K.A., Rogado N., Hayward M.A., Haas M.K., Slusky J.S., Inumaru K., Zandbergen H.W., Ong N.P., and Cava R.J. Nature (London) 411 (2001) 54
2. Park M.S., Giim J.S., Park S.H., Lee Y.W., Lee S.I., and Choi E.J. Supercond. Sci. Technol. 17 (2004) 274
3. Uehara M., Amano T., Takano S., Kori T., Yamazaki T., and Kimishima Y. Physica C 440 (2006) 6
4. Ivanovskii A.L. Phys. Solid State 45 (2003) 1829
5. Mollah S. J. Phys.: Condens. Matter 16 (2004) R1237
6. Johannes M.D., and Pickett W.E. Phys. Rev. B 70 (2004) 060507
7. Shein I.R., Shein K.I., and Ivanovskii A.L. Metallofizika Nov. Tekhnol. 26 (2004) 1193
8. Okoye C.M.I. Solid State Commun. 136 (2005) 605
9. Uehara M., Yamazaki T., Kori T., Kashida T., Kimishima Y., and Hase I. J. Phys. Soc. Jpn. 76 (2007) 034714
10. Bannikov V.V., Shein I.R., and Ivanovskii A.L. Solid State Phys. 49 (2007) 1626
11. Sieberer M., Mohn P., and Redinger J. Phys. Rev. B 75 (2007) 024431
12. Tong P., Sun Y.P., Zhu X.B., and Song W.H. Solid State Commun. 141 (2007) 336
13. Blaha P., Schwarz K., Madsen G.K.H., Kvasnicka D., and Luitz J. WIEN2k, An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties (2001), Vienna University of Technology, Vienna
14. Perdew J.P., Burke S., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
15. Blochl P.E., Jepsen O., and Anderson O.K. Phys. Rev. B 49 (1994) 16223
16. Joseph P., and Singh P.P. Phys. Rev. B 72 (2005) 064519
17. Kumary T.G., Janaki J., Mani A., Mathi Jaya S., Sastry V.S., Hariharan Y., Radhakrishnan T.S., and Valsakumar M.C. Phys. Rev. B 66 (2002) 064510
18. Kumar R.S., Cornelius A.L., Shen Y., Kumary T.G., Janaki J., Valsakumar M.C., and Nicol M.F. Physica B 363 (2005) 190
19. Joseph P., and Singh P.P. J. Phys.: Condens. Matter 18 (2006) 5333
20. Wang J., Yip S., Phillpot S.R., and Wolf D. Phys. Rev. Lett. 71 (1993) 4182
21. Cohen M.L. Phys. Rev. B 32 (1985) 7988
22. King-Smith R.D., and Vanderbilt D. Phys. Rev. B 49 (1994) 5828
23. Hill R. Proc. Phys. Soc. London A 65 (1952) 349
24. Chung D.H. Philos. Mag. 8 (1963) 833
25. Grimvall G. Thermophysical Properties of Materials (1986), North-Holland, Amsterdam
26. Voigt W. Lehrbuch der Kristallphysik (1928), Teubner, Leipzig
27. Reuss A., and Angew Z. Math. Mech. 9 (1929) 49
28. Haines J., Leger J.M., and Bocquillon G. Ann. Rev. Mater. Res. 31 (2001) 1
29. Jhi S.H., Ihm J., Louie S.G., and Cohen M.L. Nature (London) 399 (1999) 132