Theoretical study on the stability and mechanical property of Cr7C3

Physica B: Condensed Matter

Volumn 403, Issue 13-16, 2008, Pages 2273-2281

  Xiao, B ^a,b   Xing, J D ^a   Feng, J ^b   Li, Y F ^a   Zhou, C T ^a   Su, W ^a   Xie, X J ^a   Chen, Y H ^a  

^a XI'AN JIAOTONG UNIVERSITY   (China)

^b BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

Author keywords

Ab initio calculation; Computer simulations; Equations of state (EOS); Inorganic materials; Mechanical properties

Indexed keywords

CHEMICAL STABILITY; COMPUTER SIMULATION; COVALENT BONDS; ELASTIC MODULI; ENTHALPY; EQUATIONS OF STATE; FERMI SURFACE; GROUND STATE;

AB-INITIO CALCULATION; DESTABILIZATION FACTORS; INORGANIC MATERIALS; PROJECTED DENSITY OF STATES (PDOS);

CHROMIUM COMPOUNDS;

EID: 44949250921     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2007.12.012     Document Type: Article

References (31)

1. Moustafa I.M., Moustafa M.A., and Nofal A.A. Mater. Lett. 42 (2000) 371
2. Uhlenhaut D.I., Kradolfer J., Püttgen W., Löffler J.F., and Uggowitzer P.J. Acta Mater. 54 (2006) 2727
3. Moreno-Armenta M.G., and Soto G. Comput. Mater. Sci. 40 (2007) 275
4. Xie J.Y., Teng L.D., Chen N.X., and Seetharaman S. J. Alloys Compd. 420 (2006) 269
5. Carpenter S.D., and Carpenter D. Mater. Lett. 57 (2003) 4456
6. Kayser F.X. Mater. Res. Bull. 31 (1996) 635
7. Decaudin B., Mariadassou C.D., and Cizeron G. J. Alloys Compd. 226 (1996) 208
8. Salaita G.N., and Hoflund G.B. Appl. Surf. Sci. 134 (1998) 194
9. Dudzinski W., Morniroll J.P., and Gantois M. J. Mater. Sci. 15 (1980) 1387
10. Christodoulou P., and Calos N. Mater. Sci. Eng. A 301 (2001) 103
11. Xie J.Y., Chen N.X., Shen J., Teng L.D., and Seetharaman S. Acta Mater. 53 (2005) 2727
12. Music D., Kreissig U., Mertens R., and Schneider J.M. Phys. Lett. A 326 (2004) 473
13. B. Xiao, J.D. Xing, S.F. Ding, W. Su, Phys. B, corrected proof for publication.
14. Heciri D., Beldi L., Drablia S., Meradji H., Derradji N.E., Belkhir H., and Bouhafs B. Comput. Mater. Sci. 38 (2007) 609
15. Segall M.D., Lindan P.J.D., Probert M.J., Pickard C.J., Hasnip P.J., Clark S.J., and Payne M.C. Phys. Condens. Matter 14 (2002) 2717
16. Mattsson A.E., Schultz P.A., Desjarlais M.P., R Mattsson T., and Leung K. Model. Simul. Mater. Sci. Eng. 13 (2005) R1
17. Lowther J.E. Physica B 322 (2002) 173
18. Cao L.Z., Shen J., and Chen N.X. J. Alloys Compd. 336 (2002) 18
19. Monkhorst H.J., and Pack J.D. Phys. Rev. B 13 (1976) 5188
20. Shanker J., Kushwah S.S., and Sharma M.P. Phys. B 271 (1999) 158
21. Gaurav S., Sharma B.S., Sharma S.B., and Upadhyaya S.C. Phys. B 322 (2002) 328
22. Liu Z.L., Chen X.G., and Wang Y.L. Phys. B 381 (2006) 139
23. Liang Y.C., Guo W.L., and Fang Z. Acta. Phys. Sin. 56 (2007) 4847
24. Rouault M.A., Herpin P., and Fruchart M.R. Ann. Chim. 5 (1970) 461
25. Meschel S.V., and Kleppa O.J. J. Alloys Compd. 257 (1997) 227
26. Gilman J.J., Cumberland R.W., and Kaner R.B. Int. J. Refract. Met. Hard Mater. 24 (2006) 1
27. Fang M.X., and Yan Z.T. J. Anhui. Normal Univ. 26 (2003) 30
28. Kitchin J.R., Nørskov J.K., and Barteau M.A. Catal. Today 105 (2005) 66
29. Shein I.R., Medvedeva N.I., and Ivanovskii A.L. Phys. B 371 (2006) 126
30. Gao F., He J.L., Wu E., Liu S.M., Yu D.L., and Li D.C. Phys. Rev. Lett. 91 (2003) 070404
31. Liang Y.J., and Che Y.C. Thermodynamical Data for Inorganic Compounds (1993), NorthEastern University Press