Is a highly ionic material still ionic as a nanoparticle?

Small

Volumn 4, Issue 8, 2008, Pages 1233-1239

  Masenelli, B ^a   Nicolas, D ^a   Melinon P ^a  

^a UNIVERSITÉ LYON 1   (France)

Author keywords

Covaiency; Ionicity; Nanoparticles; Sesquioxkfes; Surface reconstruction

Indexed keywords

ELECTRONIC DENSITY OF STATES; LOCAL DENSITY APPROXIMATION; NANOPARTICLES; RARE EARTH COMPOUNDS; RARE EARTHS; SINGLE CRYSTALS;

COVAIENCY; CRYSTALLINE STRUCTURE; FIRST PRINCIPLE CALCULATIONS; IONIC MATERIALS; IONICITIES; RARE-EARTH SESQUIOXIDES; SESQUIOXKFES; VACUUM ENVIRONMENT;

SURFACE RECONSTRUCTION;

GADOLINIUM; GADOLINIUM OXIDE; ION; NANOPARTICLE; YTTRIA; YTTRIUM;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; THERMODYNAMICS;

GADOLINIUM; IONS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NANOPARTICLES; THERMODYNAMICS; YTTRIUM;

EID: 49749105649     PISSN: 16136810     EISSN: 16136829     Source Type: Journal    
DOI: 10.1002/smll.200700986     Document Type: Article

References (39)

1. S. L. Jones, D. Kumar, R. K. Singh, P. H. Holloway, App. Phys. Lett. 1997, 71, 404-406.
2. E. Beaurepaire, V. Buissette, M.-P. Sauviat, D. Giaume, K. Lhalil, A. Mercuri, D. Casanova, A. Huignard, J.-L. Martin, T. Gacoin, J.-P. Boilot, A. Alexandrou, Nano Lett. 2004, 4, 2079-2083.
3. H. Pederson, L. Ojamǎe, Nano Lett. 2006, 6, 2004-2008.
4. D. Nicolas, B. Masenelli, P. Mélinon, E. Bernstein, C. Dujardin, G. Ledoux, C. Esnouf. J. Chem. Phys. 2006, 125, 171104-171107.
5. B. Mercier, G. Ledoux, C. Dujardin, D. Nicolas, B. Masenelli, P. Mélinon, G. Bergeret, J. Chem. Phys. 2007, 126, 44507-44513.
6. C. Xu, T. Taylor, G. Burton, D. Neumark, J. Chem. Phys. 1997, 108, 1395-1406.
7. F. Jollet, C. Noguera, N. Thromat, M. Gautier, J. P. Duraud, Phys. Rev. B 1990, 42, 7587-7595.
8. T. Igarashi, M. Ihara, T. Kusunoki, K. Ohno, T. Isobe, M. Senna, Appl. Phys. Lett. 2000, 76, 1549-1551.
9. H. Wendel, R. Zeyher, Phys. Rev. B 1980, 21, 5544-5548.
10. D. J. Weidner, G. D. Price, Phys. Chem. Miner. 1988, 16, 42-50.
11. P. A. Madden, M. Wilson, Chem. Soc. Rev. 1996, 25, 339-350.
12. H. Shimizu, M. Ohnishi, S. Sasaki, Y. Ishibashi, Phys. Rev. Lett. 1995, 74, 2820-2823.
13. J. A. Haglung, O. Hunter, J. Am. Ceram. Soc. 1973, 56, 327-330.
14. The data are extrapolated from the monoclinic phase. According to Ref. [10], the elastic properties weakly differ from other sesquioxides cubic compounds, a) C. Noguera, J. Phys.: Condens. Matt. 2000, 12, R367-R410.
15. C. Noguera, A. Pojani, P. Casek, F. Finocchi, Surf. Sci. 2002, 507, 245-255.
16. The overall bcc structure is preserved even though, because of a few relaxed ions at the surface, we cannot rigorously assign a global symmetry to the clusters, a) A. Perez, P. Mélinon, V. Dupuis, B. Prével, L. Bardotti, I. Tuaillon-Combes, B. Masenelli, M. Treilleux, M. Pellarin, J. Lermé, E. Cottancin, M. Broyer, M. Jamet, M. Négrier, F. Tournus, M. Gaudry, Mat. Trans. 2001, 42, 1460-1470.
17. P. Mélinon, P. Keghélian, B. Prével, A. Perez, G. Guiraud, J. LeBrusq, J. Lermé, M. Pellarin, M. Broyer, J. Chem. Phys. 1997, 107, 10278-10287.
18. T. Okazawa, Y. Hoshino, T. Nishimura, Y. Kido. J. Phys.: Cond. Matt. 2001, 13, 9385-9845.
19. A. Jraij, A. Allouche, F. Rabilloud, M. Korek, M. Aubert-Frécon, D. Rayane, I. Compagnon, R. Antoine, M. Broyer, P. Dugourd, Chem. Phys. 2006, 322, 298-302.
20. A. Wander, F. Schedin, P. Steadman, A. Norris, R. McGrath, T. Turner, G. Thornton, N. Harrison, Phys. Rev. Lett. 2001, 86, 3811-3814.
21. W. Hebeistreit, M. Schmid, J. Redinger, R. Podloucky, P. Varga, Phys. Rev. Lett. 2000, 85, 5376-5379.
22. M. Nygren, D. Gay, R. Catlow, Surf. Sci. 1997, 380, 113-123.
23. E. Kaxiras, Phys. Rev. Lett. 1990, 64, 551-554.
24. A. Wander, I. Bush, N. Harrison, Phys. Rev. B 2003, 68, 233405-233408.
25. C. Beck, K. H. Ehses, R. Hempelmann, C. Bruch, Scripta Mater. 2001, 44, 2127-2131.
26. A. V. Emiline, G. V. Kataeva, V. K. Ryabchukand, N. Serpone, J. Phys. Chem. B 1999, 103, 9190-9199.
27. P. Mélinon, P. Kéghéllan, B. Prével, V. Dupuis, A. Perez, B. Champagnon, Y. Guyot, M. Pellarin, J. Lermé, M. Broyer, J. L. Rousset, P. Delichère, J. Chem. Phys. 1998, 108, 4607-4613.
28. B. Masenelli, P. Mélinon, D. Nicolas, E. Bernstein, B. Prevel, J. Kapsa, O. Boisron, A. Perez, G. Ledoux, B. Mercier, C. Dujardin, M. Pellarin, M. Broyer, Eur. Phys. J. D 2005, 34, 139-143.
29. G. Sawatzky, J. Allen, Phys. Rev. Lett. 1984, 53, 2339-2342.
30. J. Zaanen, G. Sawatzky, J. Allen, Phys. Rev. Lett. 1985, 55, 418-421.
31. J. Torrance, P. Laccoro, C. Asavaroengchai, R. Metzger, J. Solid State Chem. 1991, 90, 168-172.
32. D. H. Templeton, J. Chem. Phys. 1955, 23, 1826-1829.
33. W. Kohn, L. J. Sham, Phys. Rev. 1965, 140, A1133-A1138.
34. D. Sánchez-Portal, P. Ordejón, E. Artacho, J. M. Soler, Int. J. Quantum Chem. 1997, 65, 453-461.
35. J. P. Perdew, A. Zunger, Phys. Rev. B 1981, 23, 5048-5079.
36. N. Troullier, J. L. Martins, Phys. Rev. B 1991, 43, 1993-2006.
37. O. F. Sankey, D. J. Niklewsky, Phys. Rev. B 1989, 40, 3979-3995.
38. P. Ordejón, E. Artacho, J. Soler, Phys. Rev. B 1996, 53, 10441-10444.
39. J. M. Soler, E. Artacho, J. D. Gale, A. Garcia, J. Junquera, P. Ordejón, P. D. Sánchez-Portal, J. Phys.: Condens. Mat. 2002, 24, 2745-2779.