Structural, electronic, and magnetic properties of Y nO (n=2-14) clusters: Density functional study

Journal of Chemical Physics

Volumn 129, Issue 12, 2008, Pages

  Yang, Zhi ^a   Xiong, Shi Jie ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; ATOMS; CHLORINE COMPOUNDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; IONIZATION POTENTIAL; MAGNETIC MATERIALS; MAGNETIC PROPERTIES; MAGNETISM; NONMETALS; OXYGEN; PROBABILITY DENSITY FUNCTION; YTTRIUM ALLOYS;

CLOSED SHELLS; ELECTRON AFFINITIES; ELECTRONIC CONFIGURATIONS; ENERGY STRUCTURES; IONIZATION POTENTIALS; LOWEST-ENERGY STRUCTURES; OUTER FRAME; OXYGEN ATOMS;

MAGNETIC MOMENTS;

EID: 52949154270     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2980055     Document Type: Article

References (27)

1. V. E. Henrich and P. A. Cox, The Surface Science of Metal Oxides (Cambridge University Press, New York, 1994).
2. M. D. Morse, Chem. Rev. (Washington, D.C.) 86, 1049 (1986).
3. D. G. Dai and K. Balasubramanian, J. Chem. Phys. 98, 7098 (1993).
4. J. Zhao, X. Chen, Q. Sun, and G. Wang, Europhys. Lett. 32, 113 (1995).
5. D. Kaiming, Y. Jinlong, X. Chuamyun, and W. Kelin, Phys. Rev. B 54, 11097 (1996).
6. R. Guirado-López, D. Spanjaard, M. C. Desjonqùres, and A. M. Oĺs, Eur. Phys. J. B 3, 437 (1998).
7. M. Knickelbein, J. Chem. Phys. 102, 1 (1995).
8. T. Durakiewicz and S. Halas, Chem. Phys. Lett. 341, 195 (2001).
9. C. M. Chang and M. Y. Chou, Phys. Rev. Lett. 93, 133401 (2004).
10. D. Kaiming, J. L. Yang, C. Y. Xiao, and K. L. Wang, Phys. Rev. B 54, 11907 (1996).
11. C. G. Ding, J. L. Yang, Q. X. Li, K. L. Wang, and F. Toigo, Phys. Lett. A 256, 417 (1999).
12. M. B. Knickelbein, Phys. Rev. B 71, 184442 (2005).
13. H. K. Yuan, H. Chen, A. L. Kuang, A. S. Ahmed, and Z. H. Xiong, Phys. Rev. B 75, 174412 (2007).
14. R. Guirado-López, D. Spanjaard, and M. C. Desjonqùres, Eur. Phys. J. B 6, 459 (1998).
15. G. W. Zhang, Y. P. Feng, and C. K. Ong, Phys. Rev. B 54, 17208 (1996).
16. H. Wu and L. Wang, J. Phys. Chem. A 102, 9129 (1998).
17. A. Pramann, Y. Nakamura, and A. Nakajima, J. Phys. Chem. A 105, 7534 (2001).
18. B. Dai, K. Deng, and J. Yang, Chem. Phys. Lett. 364, 188 (2002).
19. G. Gu, B. Dai, X. Ding, and J. Yang, Eur. Phys. J. D 29, 27 (2004).
20. DMOL is a density functional theory program distributed by Accelrys, Inc.; B. Delley, J. Chem. Phys. 92, 508 (1990).
21. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).
22. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
23. H. K. Yuan, H. Chen, A. S. Ahmed, and J. F. Zhang, Phys. Rev. B 74, 144434 (2006).
24. Y. H. Luo and Y. Z. Wang, Phys. Rev. A 64, 015201 (2001).
25. G. F. Zhao, J. Zhang, Q. Jing, Y. H. Luo, and Y. X. Wang, J. Chem. Phys. 127, 234312 (2007).
26. L. Gao, M. E. Lyn, D. E. Bergeron, and A. W. Castleman, Jr., Int. J. Mass Spectrom. Ion Process. 229, 11 (2003).
27. J. J. Zhao and R. H. Xie, Phys. Rev. B 68, 035401 (2003).