Study of Structural stability and electronic structure of nonstoichiometric CdS nano clusters from first principles

Journal of Nanoscience and Nanotechnology

Volumn 9, Issue 9, 2009, Pages 5489-5492

  Datta, Soumendu ^a   Kabir, Mukul ^a   Saha Dasgupta, Tanusri ^a   Sarma, D D ^b,c  

^a S N BOSE NATIONAL CENTRE FOR BASIC SCIENCES   (India)

^b DEPARTMENT OF MATERIALS SCIENCE   (India)

^c INDIAN INSTITUTE OF SCIENCE   (India)

Author keywords

Nonstoichiometry; Stability

Indexed keywords

BAND GAPS; CDS; CLUSTER SIZES; FIRST-PRINCIPLES; FIRST-PRINCIPLES DENSITY FUNCTIONAL CALCULATIONS; MONOTONIC BEHAVIOR; NONSTOICHIOMETRIC; NONSTOICHIOMETRY; RELATIVE STABILITIES; STRUCTURAL STABILITIES; WURTZITE STRUCTURE; ZINC-BLENDE;

CADMIUM COMPOUNDS; DATA STORAGE EQUIPMENT; ELECTRONIC STRUCTURE; NANOCLUSTERS; ZINC SULFIDE;

STABILITY;

EID: 70350316001     PISSN: 15334880     EISSN: None     Source Type: Journal    
DOI: 10.1166/jnn.2009.1192     Document Type: Conference Paper

References (23)

1. R. J. Ellingson, M. C. Beard, J. C. Johnson, P. Yu, O. I. Micic, A. J. Nozik, A. Shabaev, and A. L. Efros, Nano Lett. 5, 865 (2005);
2. S. Coe, W.-K. Woo, M. G. Bawendi, and V. Bulovic, Nature (London) 420, 800 (2002).
3. M. T. Harrison, S. V. Kershaw, M. G. Burt, A. L. Rogach, A. Kornowski, A. Eychmller, and H. Weller, Pure Appl. Chem. 72, 295 (2000);
4. M. Bruchez, M. Moronne, P. Gin, S. Weiss, and A. P. Alivisatos, Science 281, 2013 (1998).
5. C.-Y. Yeh, Z. W. Lu, S. Froyen, and A. Zunger, Phys. Rev. B 46, 10086 (1992).
6. E. S. Rittner and J. H. Schulman, J. Phys. Chem. 47, 537 (1943).
7. N. Herron, Y. Wang, and H. Eckert, J. Am. Chem. Soc. 112, 1322 (1990);
8. C. Ricolleau, L. Audinet, M. Gandais, and T. Gacoin, Eur. Phys. J. D 9, 565 (1999);
9. C. Cao and J. Wang, J. Am. Chem. Soc. 126, 14336 (2004).
10. C. B. Murray, D. J. Norris, and M. G. Bawendi, J. Am. Chem. Soc. 115, 8706 (1993);
11. W. Vogel and J. Urban, Langmuir 13, 827 (1997).
12. B. Nanda, A. Kuruvilla, and D. D. Sarma, Phys. Rev. B 59, 7473 (1999).
13. J.-O. Joswig, M. Springborg, and G. Seifert, J. Phys. Chem. B 104, 2617 (2000);
14. J.-O. Joswig, S. Roy, P. Sarkar, and M. Springborg, Chem. Phys. Lett. 365, 75 (2002).
15. B. A. Simmons, S. Li, V. T. John, G. L. McPherson, A. Bose, W. Zhou, and J. He, Nano. Lett. 2, 263 (2002).
16. S. Botti and M. A. L. Marques, Phys. Rev. B 75, 035311 (2007).
17. G. Kresse and J. Hafner, Phys. Rev. B 48, 13115 (1993);
18. G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996).
19. M. V. Rama Krishna and R. A. Friesner, Phys. Rev. Lett. 67, 629 (1991).
20. X. Huang, E. Lindgren, and J. R. Chelikowsky, Phys. Rev. B 71, 165328 (2005).
21. A. P. Alivisatos, J. Phys. Chem. 100, 13226 (1996).
22. C.-Y. Yeh, S.-H. Wei, and A. Zunger, Phys. Rev. B 50, 2715 (1994).
23. B. S. Zou, R. B. Little, J. P. Wang, and M. A. El-Sayed, Int. J. Quantum Chem. 72, 439 (1999).