Electronic structure and mechanical properties of osmium borides, carbides and nitrides from first principles

Solid State Communications

Volumn 146, Issue 11-12, 2008, Pages 450-453

  Liang, Yongcheng ^a   Zhao, Jianzhi ^b   Zhang, Bin ^c  

^a SHANGHAI OCEAN UNIVERSITY   (China)

^b INSTITUTE OF PHYSICS   (China)

^c NANJING UNIVERSITY OF AERONAUTICS AND ASTRONAUTICS   (China)

Author keywords

D. Electronic mechanisms; D. Mechanical properties; E. First principles calculations

Indexed keywords

CARBIDES; CARRIER CONCENTRATION; ELASTIC MODULI; NITRIDES;

FIRST-PRINCIPLES CALCULATIONS; OSMIUM BORIDE; VALENCE ELECTRON DENSITY;

ELECTRONIC STRUCTURE;

EID: 44149088784     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2008.04.006     Document Type: Article

References (37)

1. Jhi S.H., Ihm J., Louie S.G., and Cohen M.L. Nature 399 (1999) 132
2. Jhi S.H., Louie S.G., Cohen M.L., and Ihm J. Phys. Rev. Lett. 86 (2001) 3348
3. Kaner R.B., Gilman J.J., and Tolbert S.H. Science 308 (2005) 1268
4. 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
5. 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
6. Gou H., Hou L., Zhang J., Li H., Sun G., and Gao F. Appl. Phys. Lett. 88 (2006) 221904
7. Wu Z., Chen X.J., Struzhkin V.V., and Cohen R.E. Phys. Rev. B 71 (2005) 214103
8. Zhang B., and Guo W. Appl. Phys. Lett. 87 (2005) 051907
9. Zhang B., Liang Y., and Sun H. J. Phys. Condens. Matter 19 (2007) 346224
10. Liang Y., and Fang Z. J. Phys. Condens. Matter 18 (2006) 8749
11. Cynn H., Klepeis J.E., Yoo C.S., and Young D.A. Phys. Rev. Lett. 88 (2002) 135701
12. Occelli F., Farber D.L., Badro J., Aracne C.M., Teter D.M., Hanfland M., Canny B., and Couzinet B. Phys. Rev. Lett. 93 (2004) 095502
13. Kenichi T. Phys. Rev. B 70 (2004) 012101
14. Occelli F., Loubeyre P., and Toullec R.L. Nature Mat. 2 (2003) 151
15. Hebbache M., Stuparevic L., and Zivkovic D. Solid State Commun. 139 (2006) 227
16. Aronsson B. Acta Chem. Scand. 17 (1963) 2036
17. Roof R.B., and Kempter C.P. J. Chem. Phys. 37 (1962) 1473
18. Young A.F., Sanloup C., Gregoryanz E., Scandolo S., Hemley R.J., and Mao H. Phys. Rev. Lett. 96 (2006) 155501
19. Kempter C.P. J. Chem. Phys. 41 (1964) 1515
20. Jeanet B., and Knapton A.G. Plansee Ber. Pulvermetall. 12 (1964) 12
21. Raub E., and Falkenburg G. Z. Metallkde. 55 (1964) 186
22. Zheng J.C. Phys. Rev. B 72 (2005) 052105
23. Grossman J.C., Mizel A., Cote M., Cohen M.L., and Louie S.G. Phys. Rev. B 60 (1999) 6343
24. Guillermet A.F., Haglund J., and Grimvall G. Phys. Rev. B 48 (1998) 11673
25. Fang Z., and Terakura K. J. Phys. Condens. Matter 14 (2002) 3001
26. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
27. Vanderbilt D. Phys. Rev. B 41 (1990) 7892
28. Monkhorst H.J., and Pack J.D. Phys. Rev. B 13 (1976) 5188
29. Birch F. J. Geophys. Res. 83 (1978) 1257
30. Liang Y., and Zhang B. Phys. Rev. B 76 (2007) 132101
31. Liang Y., Zhang B., and Zhao J. Phys. Rev. B 77 (2008) 094126
32. Hill R. Proc. Phys. Soc. London 65 (1953) 350
33. Born M., and Huang K. Dynamical Theory of Crystal Lattices (1956), Clarendon, Oxford
34. Ram R.S., Lievin J., and Bernath P.F. J. Chem. Phys. 111 (1999) 3449
35. Gao F., He J., Wu E., Liu S., Yu D., Li D., Zhang S., and Tian Y. Phys. Rev. Lett. 91 (2003) 015502
36. Jhi S.H., and Ihm J. Phys. Rev. B 56 (1997) 13826
37. 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