Structural, elastic and electronic properties of metastable diamond-like Ti, Fe and Zn monocarbides: Density functional-based tight binding calculations

Diamond and Related Materials

Volumn 16, Issue 2, 2007, Pages 243-247

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

^a INSTITUTE OF SOLID STATE CHEMISTRY   (Russian Federation)

Author keywords

Carbides; Density functional theory; Diamond like allotropes; Elastic and electronic properties

Indexed keywords

CARBIDES; ELECTRONIC PROPERTIES; PROBABILITY DENSITY FUNCTION; TITANIUM CARBIDE;

DENSITY FUNCTIONAL BASED TIGHT BINDING METHOD (DFTB); DIAMOND LIKE ALLOTROPES; PARAMAGNETIC METALS; TIGHT BINDING CALCULATIONS;

DIAMOND LIKE CARBON FILMS;

EID: 33846315516     PISSN: 09259635     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.diamond.2006.05.015     Document Type: Article

References (26)

1. Toth L.E. Transition Metal Carbides and Nitrides (1971), Academic Press, New York
2. Liang C.H., Meng G.W., Chen W., Wang T.W., and Zhang L.D. J. Cryst. Growth 220 (2000) 296
3. Shi Y., Gu Y., Chen L., Yang Z., Ma J., and Qian Y. Carbon 43 (2005) 211
4. Gu Y., Chen L., Li Z., Qian Y., and Zhang W. Carbon 42 (2004) 235
5. Bai Y.J., Feng X., Lu B., Wang C.G., Qi Y.X., Liu Y.X., Zhu B., and Wang Y.X. Chem. Phys. Lett. 388 (2004) 58
6. Kimura Y., and Kaito C. Thin Solid Films 476 (2005) 65
7. Ono S., Kikegawa T., and Ohishi Y. Solid State Commun. 133 (2005) 55
8. Li L., Yu W., and Jin C. J. Phys., Condens. Matter 17 (2005) 5965
9. Uddin J., and Scuseria G.E. Phys. Rev., B 72 (2005) 035101
10. Pask J.E., Yang L.H., Fong C.Y., Pickett W.E., and Dag S. Phys. Rev., B 67 (2003) 224420
11. Sasioglu E., Galanakis I., Sandratskii L.M., and Bruno P. J. Phys., Condens. Matter 17 (2005) 3915
12. Qian M.C., Fong C.Y., and Yang L.H. Phys. Rev., B 70 (2004) 052404
13. Isoya J., Kanda H., Norris J.R., and Bowman M.K. Phys. Rev., B 41 (1990) 3905
14. Johnston K., and Mainwood A. Diamond Relat. Mater. 11 (2002) 631
15. Schwarz K. Crit. Rev. Solid State Mater. Sci. 13 (1987) 211
16. Johansson L.I. Surf. Sci. Rep. 21 (1987) 177
17. Pollini I., Mosser A., and Parlebas J.C. Phys. Rep. 355 (2001) 1
18. Gubanov V.A., Ivanovskii A.L., and Zhukov V.P. Electronic Structure of Refractory Carbides and Nitrides. 2nd edition, (2005), Cambridge University Press
19. Haglund J., Grimvall G., Jarlborg T., and Guillermet A.F. Phys. Rev., B 43 (1991) 14400
20. Porezag D., Frauenchaim Th., Kohler Th., Seifert G., and Kascher R. Phys. Rev., B 51 (1995) 12947
21. Murnaghan F.D. Proc. Natl. Acad. Sci. U. S. A. 30 (1944) 244
22. Majewski J.A., and Vogl P. Phys. Rev., B 35 (1987) 9666
23. Holliday J.E. In: Henke B.L., Newkirt J.B., and Mallet G.R. (Eds). Advance in X-ray Analysis vol. 13 (1970), Plenum Press, New York 136
24. Choy M.M., Cook W.R., Hearmon R.F.S., Jaffe H., Jerphagnon J., Kurtz S.K., Liu S.T., and Nelson D.F. In: Hellwege K.-H., and Hellwege A.M. (Eds). Elastic, Piezoelectric, Piezooptic, Electrooptic Constants and Nonlinear Dielectric Susceptibilities of Crystals. Landolt-Bornstein, Numerical Data and Functional Relationships in Science and Technology vol. 11 (1979), Springer, Berlin
25. Kral C., Lengauer W., Rafaja D., and Ettmayer P. J. Alloys Compd. 265 (1998) 215
26. Chang R., and Graham L.J. J. Appl. Phys. 37 (1966) 3778