Electronic and structural properties of TiB2: Bulk, surface, and nanoscale effects

Materials Science and Engineering: B

Volumn 176, Issue 6, 2011, Pages 484-489

  Volonakis, George ^a   Tsetseris, Leonidas ^a,b   Logothetidis, Stergios ^a  

^a ARISTOTLE UNIVERSITY OF THESSALONIKI   (Greece)

^b VANDERBILT UNIVERSITY   (United States)

Author keywords

First principles; Nanocrystal; Reactivity; Wulff construction

Indexed keywords

CALCULATIONS; COMPUTATION THEORY; CORROSION RESISTANCE; ELECTRONIC PROPERTIES; MOLECULES; SURFACE REACTIONS;

BULK EFFECT; BULK SURFACES; ELECTRONIC AND STRUCTURAL PROPERTIES; FIRST PRINCIPLES; NANOSCALE EFFECTS; PROPERTY; REACTIVITY; SURFACE EFFECT; TITANIUM DIBORIDE; WULFF CONSTRUCTION;

NANOCRYSTALS;

EID: 79953178984     PISSN: 09215107     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.mseb.2010.03.063     Document Type: Article

References (31)

1. A. Agarwal, L.R. Katipelli, and N.B. Dahotre Metal. Mater. Trans. A 31 2000 461
2. M. Berger, L. Karlsson, M. Larsson, and S. Hogmark Thin Solid Films 401 2001 179
3. P.H. Mayrhofer, C. Mitterer, L. Hultman, and H. Clemens Progr. Mater. Sci. 51 2006 1032
4. W.G. Fahrenholtz, G.E. Hilmas, I.G. Talmy, and J.A. Zaykoski J. Am. Ceram. Soc. 90 2007 1347
5. R.L. Axelbaum, D.P. DuFaux, C.A. Frey, K.F. Kelton, S.A. Lawton, L.J. Rosen, and S.M.L. Sastry J. Mater. Res. 11 1996 948
6. R.A. Andrievski Int. J. Refr. Met. 19 447 2001
7. A.R. Kennedy, A.E. Karantzalis, and S.M. Wyatt J. Mater. Sci. 34 1999 933
8. M. Darabara, G.D. Papadimitriou, and L. Bourithis Surf. Coat. Technol. 201 2006 3518
9. P. Vajeeston, P. Ravindran, C. Ravi, and R. Asokamani Phys. Rev. B 63 2001 045115
10. R. Heid, B. Renker, H. Schober, P. Adelmann, D. Ernst, and K.P. Bohnen Phys. Rev. B 67 2003 R180510
11. K. Lie, R. Hoier, and R. Brydson Phys. Rev. B 61 2000 1786
12. V. Milman, and M.C. Warren J. Phys. Condens. Matter. 13 2001 5585
13. K.B. Panda, and K.S. Ravi Chandra Comp. Mater. Sci. 35 2006 134
14. Y. Han, Y. Dai, D. Shu, J. Wang, and B. Sun J. Phys. Condens. Matter. 18 2006 4197
15. N. Kalfagiannis, G. Volonakis, L. Tsetseris, A. Laskarakis, and S. Logothetidis (unpublished).
16. J.P. Perdew, and Y. Wang Phys. Rev. B 45 1992 13244
17. P.E. Blochl Phys. Rev. B 50 1994 17953
18. G. Kresse, and J. Furthmuller Phys. Rev. B 54 1996 11169
19. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758
20. D.J. Chadi, and M.L. Cohen Phys. Rev. B 8 1973 5747
21. B. Post Acta Metall. 2 1954 20
22. B. Mouffok Mater. Lett. 60 2006 1433
23. Y. Han J. Alloys Compd. 438 2007 327
24. L. Tsetseris, N. Kalfagiannis, S. Logothetidis, and S.T. Pantelides Phys. Rev. B 76 2007 224107
25. L. Tsetseris, and S.T. Pantelides Acta Mater. 56 2008 2864
26. G. Wulff Z. Kristallogr. Mineral 34 1901 449
27. C.R. Henry Progr. Surf. Sci. 80 2005 92
28. L. Tsetseris, and S.T. Pantelides J. Phys. Chem. B 113 2009 941
29. D.M. Zhang, Z.Y. Fu, and J.K. Guo Key Eng. Mater. 249 2003 119
30. J. Wachsmuth, R. Radhakrishnan, and T.S. Sudarshan Powder Metal. 46 2003 361
31. S. Meng, E. Kaxiras, and Z. Zhang Nano Lett. 7 2007 663