Structural Study of Transition Metal Carbides

• Authors: P. Bhardwaj
• Languages of publication: EN

Abstracts

EN

In this research paper we have discovered the structural phase transition and elastic properties of transition metal carbides (TaC and HfC). Phase transition pressures are associated with a sudden collapse in volume showing the incidence of first order phase transition. At ambient condition the present compounds exhibit rock salt (NaCl) structure, they transform into cesium chloride (CsCl) structure under high pressure. The phase transition pressures and associated volume collapses obtained from present potential model show a generally good agreement with the available literature. The elastic constants and bulk modulus are also reported for the present compounds.

Keywords

EN

62.20.de   62.20.dq   62.50.-p  

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2012
• Volume: 122
• Issue: 1
• Pages: 138-141

Dates

published

2012-07

received

2011-12-10

(unknown)

2012-05-03

References

• 1. L.E. Toth, Transition Metal Carbides and Nitrides, Academic Press, New York 1971
• 2. T. Amriou, B. Bouhafs, H. Aourag, B. Khelifa, S. Bresson, C. Mathieu, Physica B 325, 46 (2003)
• 3. W. Weber, Phys. Rev. B 8, 5082 (1973)
• 4. C.K. Jun, P.T.B. Shaffer, J. Less-Common Met. 4, 323 (1971)
• 5. V.V. Nemoshkalenkov, P. Krivitskiai, P. Nesenjuk, L.I. Nikolajev, A.P. Shpak, J. Phys. Chem. Solids 36, 277 (1972)
• 6. A.C. Lawson, D.P. Butt, J.W. Richardson, Ju Li, Philos. Mag. 87, 2507 (2007)
• 7. H. Ihara, M. Hirabayashiand, H. Nakagawa, Phys. Rev. B 14, 1707 (1976)
• 8. Z. Wu, X.-J. Chen, V.V. Struzhkin, R.E. Cohen, Phys. Rev. B 71, 214103 (2005)
• 9. A. Shrivastava, Mamta Chauhana, R.K. Singh, Phase Transit. 84, 58 (2011)
• 10. A. Zaoui, B. Bouhafs, P. Ruterana, Mater. Chem. Phys. 91, 108 (2005)
• 11. A. Singh, M. Anayas, S.P. Sanyal, Phase Transit. 82, 576 (2009)
• 12. C.E. Sims, G.D. Barrera, N. L Allan, Phys. Rev. B 57, 11164 (1998)
• 13. B.S. Rao, S.P. Sanyal, Phys. Status Solidi B 165, 369 (1991)
• 14. S. Froyen, M.L Cohen, J. Phys. C 19, 2623 (1983)
• 15. R.K. Singh, Phys. Rep. 85, 259 (1982)
• 16. R.K. Singh, S. Singh, Phys. Rev. B 39, 671 (1989); Phase Transit. 15, 127 (1997)
• 17. R.K Singh, S. Singh, Phys. Rev. B 45, 1019 (1992)
• 18. S. Singh. R.K. Singh, R. Rai, B.P. Singh, J. Phys. Soc. Jpn. 68, 1269 (1999)
• 19. P.O. Lowdin, Adv. Phys. 75, 1 (1932); J. Chem. Phys. 18, 113 (1961)
• 20. S.O. Lundqvist, Ark. Fys. (Swedon) 12, 365 (1958)
• 21. D.W. Hafemeister, H.F. Flygare, J. Chem. Phys. 43, 795 (1965)
• 22. M.P. Tosi, F.G. Fumi, J. Phys. Chem. Solids 23, 359 (1962); M.P. Tosi Solid State Phys. 16, 1 (1964)
• 23. P. Bhardwaj, S. Singh, N.K. Gaur, Centr. Eur. J. Phys. 6, 223 (2008)
• 24. P. Bhardwaj, S. Singh, N.K. Gaur, Mat. Res. Bull. 44, 1366 (2009)
• 25. P. Bhardwaj, S. Singh, Mat. Chem. Phys. 125, 440 (2011)

Identifiers

DOI

10.12693/APhysPolA.122.138