Structural, mechanical, and electronic properties of TaB2, TaB, IrB2, and IrB: First-principle calculations

Journal of Solid State Chemistry

Volumn 182, Issue 10, 2009, Pages 2880-2886

  Zhao, Wen Jie ^a   Wang, Yuan Xu ^a  

^a HENAN UNIVERSITY   (China)

Author keywords

Bulk modulus; Elastic properties; Iridium diboride; Tantalum diboride

Indexed keywords

BULK MODULUS; ELASTIC PROPERTIES; EXPERIMENTAL DATA; FIRST PRINCIPLE CALCULATIONS; HIGH SHEAR; SHEAR MODULUS; SPACE GROUPS; STRUCTURAL PARAMETER; YOUNG'S MODULUS;

BORIDES; ELASTIC CONSTANTS; ELASTIC MODULI; ELASTICITY; ELECTRONIC PROPERTIES; IRIDIUM; MECHANICAL PROPERTIES; SOLID STATE PHYSICS; TANTALUM;

STRUCTURAL PROPERTIES;

EID: 70349531217     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2009.07.054     Document Type: Article

References (40)

1. Hao X.F., Xu Y.H., Wu Z.J., Zhou D.F., Liu X.J., Cao X.Q., and Meng J. Phys. Rev. B 74 (2006) 224112
2. Cumberland R.W., Weinberger M.B., Gilman J.J., Clark S.M., Tolbert S.H., and Kaner R.B. J. Am. Chem. Soc. 127 (2005) 7264
3. Gou H.Y., Hou L., Zhang J.W., Li H., Sun G.F., and Gao F.M. Appl. Phys. Lett. 88 (2006) 221904
4. Chiodo S., Gotsis H.J., Russo N., and Sicilia E. Chem. Phys. Lett. 425 (2006) 311
5. Hebbache M., Stuparević L., and Živković D. Solid State Commun. 139 (2006) 227
6. Chen Z.Y., Xiang H.J., Yang J.L., Hou J.G., and Zhu Q.S. Phys. Rev. B 74 (2006) 012102
7. Wang Y.X. Appl. Phys. Lett. 91 (2007) 101904
8. Liang Y.C., and Zhang B. Phys. Rev. B 76 (2007) 132101
9. Wang M., Li Y.W., Cui T., Ma Y.M., and Zou G.T. Appl. Phys. Lett. 93 (2008) 101905
10. Zhu X.L., Li D.H., and Cheng X.L. Solid State Commun. 147 (2008) 301
11. Gu Q.F., Krauss G., and Steurer W. Adv. Mater. 20 (2008) 3620
12. La Placa S.J., and Post B. Acta Crystallogr. 15 (1962) 97
13. Lundström T. Ark. Kemi 30 (1969) 115
14. Woods H.P., Wawner Jr. F.E., and Fox B.G. Science 151 (1966) 75
15. Schwarzkopf P., Kieffer R., Leszynski W., and Benesovsky F. Refractory Hard Metals: Borides, Carbides, Nitrides, and Silicides (1953), The Macmillan Company, New York
16. Norton J.T., Blumenthal H., and Sindeband S.J. Trans. AIME 185 (1949) 749
17. D. Kaczorowski, A.J. Zaleski, O.J. Żogal, J. Klamut, cond-mat/0103571, 2001.
18. Matkovich V.I., Samsonov G.V., Hagenmuller P., and Lundstrom T. Boron and Refractory Borides (1977), Spring, Berlin, Heidelberg, New York
19. R.A. Cutler, in: S.J. Schneider (Ed.), Ceramics and Glasses: Engineered Materials Handbook, vol. 4, ASM International, USA, 1991, p. 787.
20. Zhang X.H., Hilmas G.E., and Fahrenholtz W.G. Math. Lett. 62 (2008) 4251
21. Qin J.Q., He D.W., Wang J.H., Fang L.M., Lei L., Li Y.J., Hu J., Kou Z.L., and Bi Y. Adv. Mater. 20 (2008) 1
22. Kresse G., and Joubert D. Phys. Rev. B 59 (1999) 1758
23. Blöchl P.E. Phys. Rev. B 50 (1994) 17953
24. Kresse G., and Hafner J. Phys. Rev. B 47 (1993) 558
25. Dresse G., and Hafner J. J. Phys. Condens. Matter 6 (1994) 8245
26. Kresse G., and Furthmüller J. Phys. Rev. B 54 (1996) 11169
27. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
28. Ceperley D.M., and Alder B.J. Phys. Rev. Lett. 45 (1980) 566
29. Birch F. Phys. Rev. 71 (1947) 809
30. Hill R. Proc. Phys. Soc. London 65 (1952) 349
31. Wang Y.X. Phys. Status Solidi 2 (2008) 126
32. Wang Y.X., Arai M., and Sasaki T. Appl. Phys. Lett. 90 (2007) 061922
33. Wang Y.X., Arai M., Sasaki T., and Fan C.Z. Phys. Rev. B 75 (2007) 104110
34. Yu R., Zhan Q., and Zhang X.F. Appl. Phys. Lett. 88 (2006) 051913
35. Gou H.Y., Hou L., Zhang J.W., Sun G.F., Gao L.H., and Gao F.M. Appl. Phys. Lett. 89 (2006) 141910
36. Gao F.M. Phys. Rev. B 73 (2006) 132104
37. Chung H.Y., Weinberger M.B., Levine J.B., Kavner A., Yang J.M., Tolbert S.H., and Kaner R.B. Science 316 (2007) 436
38. Chung H.Y., Weinberger M.B., Yang J.M., Tolbert S.H., and Kaner R.B. Appl. Phys. Lett. 92 (2008) 261904
39. Ravindran P., Fast L., Korzhavyi P.A., Johansson B., Wills J., and Eriksson O. J. Appl. Phys. 84 (1998) 4891
40. Zhang Y., Sun H., and Chen C.F. Phys. Rev. B 73 (2006) 064109