Trends in stability, elastic and electronic properties of cubic Rh, Ir, Pd and Pt carbides depending on carbon content: MC versus M4C from first-principles calculations

Journal of Physics and Chemistry of Solids

Volumn 71, Issue 5, 2010, Pages 803-809

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

^a INSTITUTE OF SOLID STATE CHEMISTRY   (Russian Federation)

Author keywords

C. Ab initio calculations; D. Elastic properties; D. Electronic structure

Indexed keywords

AB INITIO CALCULATIONS; CARBON CONTENT; CHEMICAL BONDINGS; CUBIC CARBIDES; D. ELASTIC PROPERTIES; E-FORMS; ELASTIC PROPERTIES; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FORMATION ENERGIES; METALLIZATIONS; NOBLE METALS;

CALCULATIONS; CARBIDES; CHEMICAL BONDS; CHEMICAL STABILITY; ELASTICITY; ELECTRONIC STRUCTURE; IRIDIUM; PALLADIUM; PLATINUM; PRECIOUS METALS; RHODIUM; SEMICONDUCTOR COUNTERS; STOICHIOMETRY;

ELECTRONIC PROPERTIES;

EID: 77950339651     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2010.02.005     Document Type: Article

References (47)

1. Gregoryanz E., Sanloup C., Somayazulu M., Badro J., Fiquet G., Mao H.K., and Hemley R.L. Nature Mater. 3 (2004) 294
2. Young A.F., Sanloup C., Gregoryanz E., Scandolo S., Hemley R.J., and Mao H.K. Phys. Rev. Lett. 96 (2006) 155501
3. Ivanovskii A.L. Russ. Chem. Rev. 78 (2009) 303
4. Toth L.E. Transition Metal Carbides and Nitrides (1971), Academic Press, New York
5. Pierson H. H 1996 Handbook of Refractory Carbides and Nitrides: Properties. Characteristics and Applications (1996), Noyes Publications, Westwood, NJ
6. In: Oyama S.T. (Ed). The Chemistry of Transition Metal Carbides and Nitrides (1996), Blackie Academic and Professional, London
7. Crowhurst J.C., Goncharov A.F., Sadigh B., Evans C.L., Morrall P.G., Ferreira J.L., and Nelson A.J. Science 311 (2006) 1275
8. Patil S.K.R., Mangale N.S., Khare S.V., and Marsillac S. Thin Solid Films 517 (2008) 824
9. Ono S., Kikegawa T., and Ohishi Y. Solid State Commun. 133 (2005) 55
10. Li L.Y., Yu W., and Jin C.Q. J. Phys. Condens. Matter 17 (2005) 5965
11. Fan C.Z., Sun L.L., Wang Y.X., Liu R.P., Zeng S.Y., and Wang W.K. Phys. B 381 (2006) 174
12. Fan C.Z., Zeng S.Y., Zhan Z.J., Liu R.P., Wang W.K., Zhang P., and Yao Y.G. Appl. Phys. Lett. 89 (2006) 071913
13. Peng F., Fu H.Z., and Yang X.D. Solid State Commun. 145 (2008) 91
14. Paduani C. J. Phys. Condens. Matter 20 (2008) 225014
15. Wang Y.X. Phys. Status Solidi-RRL 2 (2008) 126
16. Deligoz E., Ciftci Y.O., Jochym P.T., and Colakoglu K. Mater. Chem. Phys. 111 (2008) 29
17. Rabah M., Rached D., Ameri M., Khenata R., Zenati A., and Moulay N. J. Phys. Chem. Solids 69 (2008) 2907
18. Li L. Modern Phys. Lett. 22 (2008) 2937
19. Carl A., Dumpich G., and Wasserman E.F. Phys. Rev. B 50 (1994) 7838
20. Spoddig D., Schindler K., Roediger P., Barzola-Quiquia J., Fritsch K., Mulders H., and Esquinazi P. Nanotechnology 18 (2007) 495202
21. Gou H., Hou L., Zhang J., and Gao F. Appl. Phys. Lett. 92 (2008) 241901
22. Bannikov V.V., Shein I.R., and Ivanovskii A.L. Phys. Status Solidi-Rapid Res. Lett. 3 (2009) 218
23. Bannikov V.V., Shein I.R., Medvedeva N.I., Ivanovskii A.L., and Magten J. Magnet. Mater. 321 (2009) 3624
24. P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, J. Luitz, WIEN2k, An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties, Vienna University of Technology, Vienna, 2001.
25. Perdew J.P., and Zunger A. Phys. Rev. B 23 (1981) 5048
26. Perdew J.P., Burke S., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
27. Blochl P.E., Jepsen O., and Anderson O.K. Phys. Rev. B 49 (1994) 16223
28. Mehl M.J. Phys. Rev. B 47 (1993) 2493
29. Nye J.F. Physical Properties of Crystals (1985), Oxford University Press, Oxford
30. Fernandez Guillermet A., and Grimvall G. Phys. Rev. B 40 (1989) 1521
31. Sigalas M., Papaconstantopoulos D.A., and Bacalis N.C. Phys. Rev. B 45 (1992) 5777
32. Korling M., and Haglund J. Phys. Rev. B 45 (1992) 13297
33. Chen K., Zhao L.R., Rodgers J., and Tse J.S. J. Phys. D.: Appl. Phys. 36 (2003) 2725
34. Pugh S.F. Phil. Mag. 45 (1954) 823
35. Haines J., Leger J.M., and Bocquillon G. Annu. Rev. Mater. Res. 31 (2001) 1
36. Pettifor D.G. Mater. Sci. Technol. 8 (1992) 345
37. In: Savitskii E.M. (Ed). Hemisphere (1989)
38. In: Martienssen M., and Warlimont H. (Eds). Springer Handbook of Condensed Matter and Materials Dada (2005), Springer, Berlin, Heidelberg
39. Gornostyrev Yu.N., Katsnelson M.I., Medvedeva N.I., Mryasov O.N., Freeman A.J., and Trefilov A.V. Phys. Rev. B 62 (2000) 7802
40. Baria J.K., and Jani A.R. Physica B 328 (2008) 317
41. Kamran S., Chen K., and Chen L. Phys. Rev. B 79 (2009) 024106
42. Janak J.F. Phys. Rev. B 16 (1977) 255
43. Gubanov V.A., Ivanovskii A.L., and Zhukov V.P. Electronic Structure of Refractory Carbides and Nitrides (1994), Cambridge University Press, Cambridge
44. Suetin V.D., Shein I.R., and Ivanovskii A.L. J. Phys. Chem. Solids 70 (2009) 64
45. Juarez-Arellano E., Winkler B., Friedrich A., Bayarjargal L., Milman V., Yan J., and Clark S.M. J. Alloys Compd. (2010) 10.1016/j.jallcom.2009.03.029
46. Hugosson H.W., Korzhavyi P., Jansson U., Johansson B., and Eriksson O. Phys. Rev. B 63 (2001) 165116
47. Tsetseris L., Kalfagiannis N., Logothetidis S., and Pantelides S.T. Phys. Rev. B 76 (2007) 224107