Prediction of new superhard boron-rich compounds

Journal of Physical Chemistry B

Volumn 109, Issue 31, 2005, Pages 14892-14895

  Gao, Faming ^a   Qin, Xiujuan ^a   Wang, Liqin ^a   He, Yunhua ^a   Sun, Guifang ^a   Hou, Li ^a   Wang, Wenyin ^a  

^a YANSHAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BERYLLIUM; CADMIUM; CARBIDES; ELECTRONIC STRUCTURE; POSITIVE IONS; ZINC;

BOND VALENCE; BORON-RICH COMPOUNDS; ENERGY GAPS; SUPERHARD MATERIALS;

BORON COMPOUNDS;

EID: 23844550362     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp052547b     Document Type: Article

References (24)

1. Riedel, R. Handbook of ceramic hard materials; Wiley-VCH: Weinheim, 2000.
2. Liu, A. Y.; Cohen, M. L. Science 1989, 245, 841.
3. Teter, D. M.; Hemley, R. J. Science 1996, 277, 53.
4. Haines, J.; Leger, J. M.; Bocquillon, G. Annu. Rev. Mater. Res. 2001, 31, 1.
5. Lundstron, T. In Boron-rich solids; Emin, D., Aselage, T. L., Switendick, A. C., Morosin, B., Eckel, C. L., Eds.; AIP: New York, 1990; p 186.
6. Mauri, F.; Vast, N.; Pickard, C. J. Phys. Rev. Lett. 2001, 87, 085506.
7. Hubert, H.; Devouard, B.; Garvie, L. A. J.; Keeffe, M. O.; Buseck, P. R.; Petuskey, W. T.; McMillan, P. F. Nature 1998, 397, 376.
8. Chen, M.; McCauley, J. W.; Hemker, K. J. Science 2003, 299, 1563.
9. Emin, D. Phys. Today 1987, 40, 55.
10. Domnich, V.; Gogotsi, Y. Appl. Phys. Lett. 2002, 81, 3783.
11. He, D.; Zhao, Y.; Daemen, L.; Qian, J.; Shen, T. D.; Zerda, T. W. Appl. Phys. Lett. 2002, 87, 643.
12. Li, D.; Ching, W. Y. Phys. Rev. B 1996, 54, 1451.
13. Shirai, K. J. Solid State Chem. 1997, 133, 215.
14. Cook, B. A.; Harringa, J. L.; Lewis, T. L.; Russell, A. M. Scr. Mater. 2000, 42, 597.
15. Greenwood, M. N.; Earnshow, A. Chemistry of the elements; Pergamon Press: Oxford, 1984.
16. Pauling, L. The nature of the chemical bond; Cornell University Press: Ithaca, NY, 1960.
17. Gao, F. M.; Hou, L.; He, Y. H. J. Phys. Chem. B 2004, 108, 13069.
18. Materials Studio, version 2.1.5; Accelrys Inc.: 2002.
19. Gao, F. M.; He, J. L.; Wu, E. D.; Liu, S. M.; Yu, D. L.; Li, D. C.; Chang, S. Y.; Tian, Y. J. Phys. Rev. Lett. 2003, 97, 015502.
20. Gao, F. M. Phys. Rev. B 2004, 69, 094113.
21. Gao, F. M.; Xu, R.; Liu, K. Phys. Rev. B 2005, 71, 052103.
22. Olofsson, M.; Lundstrom, T. J. Alloys Compd. 1997, 257, 91.
23. Emin, D. J. Solid State Chem. 2004, 117, 1619.
24. Szymanski, A.; Szymanski, J. M. Hardness Estimation of Minerals Rocks and Ceramic Materials; Elsevier: Amsterdam, 1989.