Structural and electronic properties of nanostructured HAlO

Journal of Physical Chemistry B

Volumn 109, Issue 48, 2005, Pages 22820-22829

  Dong, Yi ^a   Burkhart, Markus ^a   Veith, Michael ^a   Springborg, Michael ^a  

^a SAARLAND UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

GENETIC ALGORITHMS; OPTIMIZATION; ORGANIC COMPOUNDS; PROBABILITY DENSITY FUNCTION; TERNARY SYSTEMS;

ISOLATED STRUCTURES; NANOSTRUCTURED TERNARY COMPOUNDS; SHAPE PARAMETERS;

NANOSTRUCTURED MATERIALS;

EID: 29444433946     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0539369     Document Type: Article

References (24)

1. Veith, M.; Andres, K.; Faber, S.; Blin, J.; Zimmer, M.; Wolf, Y.; Schnöckel, H.; Köppe, R.; Masi, R.; Hüfner, S. Eur. J. Inorg. Chem. 2003, 4387.
2. Veith, M.; Andres, K. J. Metastable Nanocryst. Mater. 2003, 15-16, 279.
3. Liu, S. W.; Wehmschulte, R. J.; Burba, C. M. J. Mater. Chem. 2003, 13, 3107.
4. Liu, S. W.; Fooken, J.; Burba, C. M.; Eastman, M. A.; Wehmschulte, R. J. Chem. Mater. 2003, 15, 2803.
5. Dong, Y.; Springborg, M. In Proceedings of 3rd International Conference "Computational Modeling and Simulation of Materials"; Vincenzini, P., et al., Eds.; Techna Group Publishers: Faenza, Italy, 2004; p 167.
6. Roszinski, H.; Dautel, R.; Zeil, W. Z. Phys. Chem. 1963, 36, 26.
7. Go, E. P.; Tuermer, K.; Reutt-Robey, J. E. Surf. Sci. 1999, 437, 377.
8. Porezag, D.; Frauenheim, Th.; Köhler, Th.; Seifert, G.; Kaschner, R. Phys. Rev. B 1995, 51, 12947.
9. Seifert, G.; Schmidt, R. New J. Chem. 1992, 16, 1145.
10. Seifert, G.; Porezag, D.; Frauenheim, Th. Int. J. Quantum Chem. 1996, 58, 185.
11. Grigoryan, V. G.; Springborg, M. Phys. Chem. Chem. Phys. 2001, 5, 5125.
12. Holland, J. H. Adation in Natural Algorithms and Artifical systems; University of Michigan Press: Ann Arbor, MI, 1975.
13. Goldberg, D. E. Genetic Algorithms in search, Optimization and Machine Learning; Addison-Wesley: Reading, MA, 1989.
14. Ahlrichs, R.; Bär, M.; Häser, M.; Horn, H.; Kölmel, C. Chem. Phys. Lett. 1989, 162, 165.
15. Becke, A. D. Phys. Rev. B 1988, 38, 3098.
16. Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
17. Perdew, J. P. Phys. Rev. B 1986, 33, 8822.
18. Perdew, J. P. Phys. Rev. B 1986, 34, 7406.
19. Schfer, A.; Horn, H.; Ahlrichs, R. J. Chem. Phys. 1992, 97, 2571.
20. Eichkorn, K.; Treutler, O.; Öhm, H.; Häser, M.; Ahlrichs, R. Chem. Phys. Lett. 1995, 240, 283.
21. Eichkorn, K.; Weigend, F.; Treutler, O.; Ahlrichs, R. Theor. Chim. Acta 1997, 97, 119.
22. Hirota, F.; Tanimoto, M.; Tokiwa, H. Chem. Phys. Lett. 1993, 208, 115.
23. Mason, M. R.; Smith, J. M.; Bott, S. G.; Barron, A. R. J. Am. Chem. Soc. 1993, 115, 4971.
24. Wehmschulte, R. J.; Power, P. P. J. Am. Chem. Soc. 1997, 119, 8387.