Reversal of the charge transfer between host and dopant atoms in semiconductor nanocrystals

Nano Letters

Volumn 4, Issue 11, 2004, Pages 2251-2254

  Blomquist, Torbǒrn ^a   Kirczenow, George ^a  

^a SIMON FRASER UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; CHEMICAL BONDS; CRYSTALLINE MATERIALS; CRYSTALS; PROBABILITY DENSITY FUNCTION; SEMICONDUCTOR DEVICES; SEMICONDUCTOR DOPING; SEMICONDUCTOR MATERIALS;

DOPANTS; ELECTRONEGATIVITY; NANOCRYSTALS; TIGHT-BINDING (TB);

NANOSTRUCTURED MATERIALS;

EID: 9744272472     PISSN: 15306984     EISSN: None     Source Type: Journal    
DOI: 10.1021/nl049108t     Document Type: Article

References (22)

1. Kittel, C. Introduction to solid state physics, 7th ed.; Wiley: New York, 1996.
2. Kohn, W. Phys. Rev. 1957, 105, 509-516.
3. Mimura, A.; Fujii, M.; Hayashi, S.; Kovalev, D.; Koch F. Phys. Rev. B 2000, 62, 12625-12627.
4. Melnikov, D. V.; Chelikowsky, J. R. Phys. Rev. Lett. 2004, 92, 046802.
5. Pandey, R. K.; Harbola, M. K.; Singh, V. A. J. Phys. C 2004, 16, 1769-1776.
6. Zhu, J.-L.; Xiong, J.-J.; Gu, B.-L. Phys. Rev. B 1990, 41, 6001-6007.
7. Stfébé, B.; Assaid, E.; Dujardin, F.; Le Goff, S. Phys. Rev. B 1996, 54, 17785-17793.
8. Einevoll, G. T.; Chang, Y.-C. Phys. Rev. B 1989, 40, 9683-9697.
9. Estreicher, S. Phys. Rev. B 1988, 37, 858-863.
10. Lannoo, M.; Delerue, C.; Allan, G. Phys. Rev. Lett. 1995, 74, 3415-3418.
11. Stoker, H. S. Introduction to Chemical Principles, 4th ed.; Macmillan: New York, 1993.
12. We employed the GAUSSIAN 98 numerical implementation of density functional theory with the 6-31G(d) basis set and the B3LYP exchange-correlation energy functional.
13. Bernstein, N.; Mehl, M. J.; Papaconstantopoulos, D. A.; Papanicolaou, N. I.; Bazant, M. Z.; Kaxiras, E. Phys. Rev. B 2000, 62, 4477-4487. Bernstein, N.; Mehl, M. J.; Papaconstantopoulos, D. A.; Papanicolaou, N. I.; Bazant, M. Z.; Kaxiras, E. Phys. Rev. B 2002, 65, 249902(E).
14. Bernstein, N.; Mehl, M. J.; Papaconstantopoulos, D. A.; Papanicolaou, N. I.; Bazant, M. Z.; Kaxiras, E. Phys. Rev. B 2000, 62, 4477-4487. Bernstein, N.; Mehl, M. J.; Papaconstantopoulos, D. A.; Papanicolaou, N. I.; Bazant, M. Z.; Kaxiras, E. Phys. Rev. B 2002, 65, 249902(E).
15. McGlynn, S. P.; Vanquickenborne, L. G.; Kinoshita, M.; Carroll, D. G. Introduction to Applied Quantum Chemistry; Holt, Rinehart and Winston, Inc: New York, 1972.
16. Liu, D. G.; Jayanthi, C. S.; Wu, S.-Y. J. Appl. Phys. 2001, 90, 4143-4151.
17. Zunger, A.; Wang, L.-W. Appl. Surf. Sci. 1996, 102, 350-359.
18. Delley, B.; Steigmeier, E. F. Phys. Rev. B 1993, 47, 1397-1400. Appl. Phys. Lett. 1995, 67, 2370-2372.
19. Delley, B.; Steigmeier, E. F. Phys. Rev. B 1993, 47, 1397-1400. Appl. Phys. Lett. 1995, 67, 2370-2372.
20. Öǧüt, S.; Chelikowsky, J. R. Phys. Rev. Lett. 1997, 79, 1770-1773.
21. Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899-926.
22. Madelung, O. Semiconductors Group IV Elements and III-V Compounds; Springer-Verlag: Berlin, Germany, 1991.