Ab initio study on the electronic and mechanical properties of ReB and ReC

Journal of Solid State Chemistry

Volumn 182, Issue 4, 2009, Pages 960-965

  Zhao, Erjun ^a,c   Wang, Jinping ^b   Meng, Jian ^a   Wu, Zhijian ^a  

^a CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY   (China)

^b QINGDAO AGRICULTURAL UNIVERSITY   (China)

^c UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

Elastic constants; Electronic properties; Formation enthalpy; Rhenium boride; Rhenium carbide

Indexed keywords

BORIDES; DENSITY (SPECIFIC GRAVITY); DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELECTRONIC PROPERTIES; ENTHALPY; HARDNESS; MECHANICAL PROPERTIES; RHENIUM; SODIUM CHLORIDE; TUNGSTEN CARBIDE; ZINC; ZINC SULFIDE;

AB INITIO STUDIES; DENSITY FUNCTIONAL; FORMATION ENTHALPY; HARD MATERIALS; MECHANICALLY STABLES; NIAS-TYPE STRUCTURES; SHEAR MODULUS; THERMODYNAMICALLY STABLES; TYPE STRUCTURES; WURTZITE; ZINC BLENDES;

STRUCTURAL PROPERTIES;

EID: 62849120695     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2009.01.034     Document Type: Article

References (46)

1. Gilman J.J., Cumberland R.W., and Kaner R.B. Int. J. Refractory Met. Hard Mater. 24 (2006) 1
2. Haines J., Léger J.M., and Bocquillon G. Annu. Rev. Mater. Res. 31 (2001) 1
3. Yang Q., Lengauer W., Koch T., Scheerer M., and Smid I. J. Alloys Comp. 309 (2000) L5
4. Brown H.R., Armstrong P.E., and Kempter C.P. J. Chem. Phys. 45 (1966) 547
5. Dodd S.P., Cankurtaran M., and James B. J. Mater. Sci. 38 (2003) 1107
6. Schuster J., Rudy E., and Nowotny H. Monatsh. Chem. 107 (1976) 1167
7. Popova S.V. Acta Crystallogr. A 31 (1975) S99
8. Popova S.V., and Boiko L.G. High Temp. High Pressure 3 (1971) 237
9. Ono S., Kikegawa T., and Ohishi Y. Solid State Commun. 133 (2005) 55
10. Lu X.G., Selleby M., and Sundman B. Acta Mater. 55 (2007) 1215
11. 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
12. Peng F., Fu H.Z., and Yang X.D. Solid State Commun. 145 (2008) 91
13. Grossman J.C., Mizel A., Côté M., Cohen M.L., and Louie S.G. Phys. Rev. B 60 (1999) 6343
14. Zheng J.C. Phys. Rev. B 72 (2005) 052105
15. Chen Z.W., Gu M.X., Sun C.Q., Zhang X.Y., and Liu R.P. Appl. Phys. Lett. 91 (2007) 061905
16. Wang Y.X. Phys. Stat. Solidi (RRL) 2 (2008) 126
17. Shulishova O.I., and Shcherbak I.A. Inorg. Mater. 3 (1967) 1304
18. Kiessling R. Acta Chem. Scand. 3 (1949) 603
19. Rudy E., Benesovsky F., and Toth L. Z. Metallkd. 54 (1963) 345
20. Rogl P., Nowotny H., and Benesovsky F. Monatsh. Chem. 102 (1971) 678
21. Aronsson B., Stenberg E., and Äselius J. Acta Chem. Scand. 14 (1960) 733
22. Music D., and Schneider J.M. Scr. Mater. 52 (2005) 29
23. 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
24. Hao X.F., Xu Y.H., Wu Z.J., Zhou D.F., Liu X.J., Cao X.Q., and Meng J. Phys. Rev. B 74 (2006) 224112
25. Zhang R.F., Veprek S., and Argon A.S. Appl. Phys. Lett. 91 (2007) 201914
26. Segall M.D., Lindan P.J.D., Probert M.J., Pickard C.J., Hasnip P.J., Clark S.J., and Payne M.C. J. Phys. Condens. Matter 14 (2002) 2717
27. Vanderbilt D. Phys. Rev. B 41 (1990) 7892
28. Monkhorst H.J., and Pack J.D. Phys. Rev. B 13 (1976) 5188
29. Pack J.D., and Monkhorst H.J. Phys. Rev. B 16 (1977) 1748
30. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
31. Will G., and Kiefer B. Z. Anorg. Allg. Chem. 627 (2001) 2100
32. Voigt W. Lehrburch der Kristallphysik (1928), Teubner, Leipzig
33. Reuss A. Z. Angew. Math. Mech. 9 (1929) 49
34. Hill R. Proc. Phys. Soc. London 65 (1952) 350
35. Wu Z.J., Zhao E.J., Xiang H.P., Hao X.F., Liu X.J., and Meng J. Phys. Rev. B 76 (2007) 054115
36. D.R. Lide, CRC Handboook of Chemistry and Physics, 86th ed., CRC Press, Florida, 2005-2006, pp. 12-37.
37. Donohue J. The Structures of the Elements (1974), Wiley, New York pp. 191-199
38. Pugh S.F. Philos. Mag. 45 (1954) 823
39. C. Kittel, Introduction to Solid State Physics, eighth ed., Chinese ed., Chemical Industry Press, Beijing China, 2005, p. 86.
40. C. Kittel, Introduction to Solid State Physics, eighth ed., Chinese ed., Chemical Industry Press, Beijing China, 2005, p. 105.
41. Ajami F.I., and MacCrone R.K. J. Less-Common Met. 38 (1974) 101
42. Young A.F., Sanloup C., Gregoryanz E., Scandolo S., Hemley R.J., and Mao H.-K. Phys. Rev. Lett. 96 (2006) 155501
43. 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
44. Zhao E.J., and Wu Z.J. J. Solid State Chem. 181 (2008) 2814
45. Teter D.M. MRS Bull. 23 (1998) 22
46. Gao F.M. Phys. Rev. B 73 (2006) 132104