First-principles investigation of the surface structures of Cu(n, n-1, 0) (n=2, 3 and 4) stepped surfaces

Journal of Physics and Chemistry of Solids

Volumn 71, Issue 5, 2010, Pages 764-769

  Shu, Yu ^a   Zhang, Jian Min ^a   Wang, Guo Hong ^b   Xu, Ke Wei ^c  

^a SHAANXI NORMAL UNIVERSITY   (China)

^b AIR FORCE ENGINEERING UNIVERSITY   (China)

^c XI'AN JIAOTONG UNIVERSITY   (China)

Author keywords

A. Metals; A. Surface; C. Ab initio calculations; D. Microstructure; D. Surface properties

Indexed keywords

A. METALS; AB INITIO CALCULATIONS; C. AB INITIO CALCULATIONS; D. MICROSTRUCTURE; D. SURFACE PROPERTIES;

CALCULATIONS; MICROSTRUCTURE; SOIL CONSERVATION; SURFACE PROPERTIES; TRACE ANALYSIS;

ATOMS;

EID: 77950340895     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2010.01.016     Document Type: Article

References (20)

1. Desjonquères M.C., and Spanjaard D. Concepts in Surface Physics (1993), Springer, Berlin
2. Da Silva J.L.F., Schroeder K., and Blügel S. Phys. Rev. B 70 (2004) 245432
3. Da Silva J.L.F., Schroeder K., and Blügel S. Phys. Rev. B 72 (2005) 033405
4. Da Silva J.L.F., Schroeder K., and Blügel S. Surf. Sci. 600 (2006) 3008
5. Sun Y.Y., Xu H., Feng Y.P., Huan A.C.H., and Wee A.T.S. Phys. Rev. Lett. 93 (2004) 136102
6. Sun Y.Y., Xu H., Zheng J.C., Zhou J.Y., Feng Y.P., Huan A.C.H., and Wee A.T.S. Phys. Rev. B 68 (2003) 115420
7. Sun Y.Y., Xu H., Feng Y.P., Huan A.C.H., and Wee A.T.S. Surf. Sci. 548 (2004) 309
8. Da Silva J.L.F., Schroeder K., and Blügel S. Phys. Rev. B 69 (2004) 245411
9. Yildirim H., and Durukanoǧlu S. Surf. Sci. 557 (2004) 190
10. Ismail S., Chandravakar D.M., and Zehner. Surf. Sci. 504 (2002) L201
11. Tian Y., Quinn J., Lin K.W., and Jona F. Phys. Rev. B 61 (2000) 4904
12. Durukanoglu S., and Rahman T.S. Phys. Rev. B 67 (2003) 205406
13. Yamaguchi M., Kaburaki H., and Freeman A.J. Phys. Rev. B 69 (2004) 045408
14. Perdew J.P., and Wang Y. Phys. Rev. B 45 (1992) 13244
15. Kresse G., and Hafner J. Phys. Rev. B 48 (1993) 13115
16. Kresse G., and Furthmüller J. Comput. Mater. Sci. 6 (1996) 15
17. Kresse G., and Furthmüller J. Phys. Rev. B 54 (1996) 11169
18. Vanderbilt D. Phys. Rev. B 41 (1990) 7892
19. Methfessel M., and Paxton A.T. Phys. Rev. B 40 (1989) 3616
20. Monkhorst H.J., and Pack J.D. Phys. Rev. B 13 (1976) 5188