Geometrical structure and spin order of Gd13 cluster

Journal of Chemical Physics

Volumn 135, Issue 11, 2011, Pages

  Yuan, H K ^a   Chen, H ^a   Kuang, A L ^a,b   Wu, B ^a  

^a SOUTHWEST UNIVERSITY   (China)

^b SOOCHOW UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CONDUCTION ELECTRONS; ENERGY CONFIGURATIONS; GENERALIZED GRADIENT APPROXIMATIONS; GEOMETRICAL STRUCTURE; IONIC BONDING; LOCAL MAGNETIC MOMENTS; LOWEST ENERGY STRUCTURE; RUDERMAN-KITTEL-KASUYA-YOSIDA; SPIN ORDER; SPIN-POLARIZED;

ATOMS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; MAGNETIC COUPLINGS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES;

GADOLINIUM;

EID: 80053185718     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3640416     Document Type: Article

References (58)

1. R. D. Bolskar, A. F. Benedetto, L. O. Husebo, R. E. Price, E. F. Jackson, S. Wallace, L. J. Wilson, and J. M. Alford, J. Am. Chem. Soc. 125, 5471 (2003). 10.1021/ja0340984 (Pubitemid 36588345)
2. H. Kato, Y. Kanazawa, M. Okumura, A. Taninaka, T. Yokawa, and H. Shinohara, J. Am. Chem. Soc. 125, 4391 (2003). 10.1021/ja027555+ (Pubitemid 36512335)
3. H. Pedersen, and L. Ojame, Nano Lett. 6, 2004 (2006). 10.1021/nl061185w (Pubitemid 44555245)
4. M. Ahréa, L. Selegrd, A. Klasson, F. Sderlind, N. Abrikossova, C. Skoglund, T. Bengtsson, M. Engstrm, P. Kll, and K. Uvdal, Langmuir 26, 5753 (2010). 10.1021/la903566y
5. A. Grubisic, Y. J. Ko, H. Wang, and K. H. Bowen, J. Am. Chem. Soc. 131, 10783 (2009). 10.1021/ja805205r
6. M. J. Piotrowski, P. Piquini, and J. L.F. Da Silva, Phys. Rev. B 81, 155446 (2010). 10.1103/PhysRevB.81.155446
7. A. Lyalin, A. V. Solovyov, and W. Greiner, Phys. Rev. A 74, 043201 (2006). 10.1103/PhysRevA.74.043201 (Pubitemid 44570262)
8. D. B. Zhang and J. Chen, J. Chem. Phys. 120, 5104 (2004). 10.1063/1.1647060
9. G. Kim, Y. Park, M. Joon Han, J. Yu, C. Heo, and Y. Hee Lee, Solid State Commun. 149, 2058 (2009). 10.1016/j.ssc.2009.08.022
10. D. C. Douglass, J. P. Bucher, and L. A. Bloomfield, Phys. Rev. Lett. 68, 1774 (1992). 10.1103/PhysRevLett.68.1774
11. D. C. Douglass, A. J. Cox, J. P. Bucher, and L. A. Bloomfield, Phys. Rev. B 47, 12874 (1993). 10.1103/PhysRevB.47.12874
12. A. J. Cox, D. C. Douglass, J. G. Louderback, A. M. Spencer, and L. A. Bloomfield, Z. Phys. D 26, 319 (1993). 10.1007/BF01429181
13. D. Gerion, A. Hirt, and A. Chatelain, Phys. Rev. Lett. 83, 532 (1996). 10.1103/PhysRevLett.83.532
14. S. Pokrant, Phys. Rev. A 62, 051201(R) (2000). 10.1103/PhysRevA.62.051201 (Pubitemid 32023249)
15. S. Pokrant and J. A. Becker, J. Magn. Magn. Mater. 226-230, 1921 (2001). 10.1016/S0304-8853(00)00663-6
16. S. Pokrant and J. A. Becker, Eur. Phys. J. D 16, 165 (2001). 10.1007/s100530170083 (Pubitemid 33353148)
17. C. N. van Dijk, Th. Rasing, A. Kirilyuk, J. Bowlan, A. Liang, and W. A. de Heer, J. Appl. Phys. 107, 09B526 (2010). 10.1063/1.3358611
18. J. Bowlan, C. N. van Dijk, A. Kirilyuk, A. Liang, S. Yin, Th. Rasing, and W. A. de Heer, J. Appl. Phys. 107, 09B509 (2010). 10.1063/1.3350904
19. M. Petersen, J. Hafner, and M. Marsman, J. Phys.: Condens. Matter 18, 7021 (2006). 10.1088/0953-8984/18/30/007 (Pubitemid 44102097)
20. A. Sebetci and M. Richter, J. Phys. Chem. C 114, 15 (2010). 10.1021/jp906243v
21. L. Maron and O. Eisenstein, J. Phys. Chem. A 104, 7140 (2000). 10.1021/jp0010278
22. R. J. Van Zee, S. Li, and W. Weltner Jr., J. Chem. Phys. 100, 4010 (1994). 10.1063/1.466335
23. L. W. Roeland, G. J. Cock, F. A. Muller, A. C. Moleman, K. A. McEwen, R. G. Jordan, and D. W. Jones, J. Phys. F: Met. Phys. 5, L233 (1975). 10.1088/0305-4608/5/12/003
24. D. P. Pappas, A. P. Popov, A. N. Anisimov, B. V. Reddy, and S. N. Khanna, Phys. Rev. Lett. 76, 4332 (1996). 10.1103/PhysRevLett.76.4332
25. V. Z. Cerovski, S. D. Mahanti, and S. N. Khanna, Eur. Phys. J. D 10, 119 (2000). 10.1007/s100530050532
26. F. Lpez-Uras, A. Daz-Ortiz, and J. L. Morn-Lpez, Phys. Rev. B 66, 144406 (2002). 10.1103/PhysRevB.66.144406
27. D. Rayane, A. Benamar, P. Melinon, B. Tribollet, and M. Broyer, Z. Phys. D 19, 191 (1991). 10.1007/BF01448289
28. C. Bréchignac, Ph. Cahuzac, F. Carlier, and J. Ph. Roux, Z. Phys. D 28, 67 (1993). 10.1007/BF01437456
29. J. P. Chou, H. Y. T. Chen, C. R. Hsing, C. M. Chang, C. Cheng, and C. M. Wei, Phys. Rev. B 80, 165412 (2009). 10.1103/PhysRevB.80.165412
30. C. M. Chang and M. Y. Chou, Phys. Rev. Lett. 93, 133401 (2004). 10.1103/PhysRevLett.93.133401
31. M. Zhang and R. Fournier, Phys. Rev. A 79, 043203 (2009). 10.1103/PhysRevA.79.043203
32. Y. Sun, R. Fournier, and M. Zhang, Phys. Rev. A 79, 043202 (2009). 10.1103/PhysRevA.79.043202
33. L. L. Wang and D. D. Johnson, Phys. Rev. B 75, 235405 (2007). 10.1103/PhysRevB.75.235405
34. Y. Sun, M. Zhang, and R. Fournier, Phys. Rev. B 77, 075435 (2008). 10.1103/PhysRevB.77.075435
35. F. Aguilera-Granja, A. Garca-Fuente, and A. Vega, Phys. Rev. B 78, 134425 (2008). 10.1103/PhysRevB.78.134425
36. H. K. Yuan, H. Chen, A. S. Ahamed, and J. F. Zhang, Phys. Rev. B 74, 144434 (2006). 10.1103/PhysRevB.74.144434 (Pubitemid 44674190)
37. H. K. Yuan, H. Chen, A. L. Kuang, A. S. Ahmed, and Z. H. Xiong, Phys. Rev. B 75, 174412 (2007). 10.1103/PhysRevB.75.174412
38. J. L. Wang, Phys. Rev. B 75, 155422 (2007). 10.1103/PhysRevB.75.155422
39. D. B. Zhang and J. Chen, J. Chem. Phys. 120, 5081 (2004). 10.1063/1.1647513
40. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992). 10.1103/PhysRevB.45.13244
41. A. D. Becke, Phys. Rev. A 38, 3098 (1988). 10.1103/PhysRevA.38.3098
42. J. Du, X. Sun, D. Meng, P. Zhang, and G. Jiang, J. Chem. Phys. 131, 044313 (2009). 10.1063/1.3187525
43. E. G. Moroni, G. Kresse, J. Hafner, and J. Furthmller, Phys. Rev. B 65, 15629 (1997). 10.1103/PhysRevB.56.15629
44. DMOL, v960, Biosym Technologies, San Diego, CA (1996).
45. G. Kresse and J. Furthmuller, Phys. Rev. B 54, 11169 (1996). 10.1103/PhysRevB.54.11169
46. X. Chen, L. Fang, X. Shen, and J. R. Lombardi, J. Chem. Phys. 112, 9780 (2000). 10.1063/1.481616
47. M. Dolg, W. Liu, and S. Kalvoda, Int. J. Quantum Chem. 76, 359 (2000). 10.1002/(SICI)1097-461X(2000)76:3359::AID-QUA53.0.CO;2-E
48. X. Cao and M. Dolg, Mol. Phys. 101, 1967 (2003). 10.1080/ 0026897031000109275
49. J. Banister, S. Legvold, and F. H. Spedding, Phys. Rev. 94, 1140 (1954). 10.1103/PhysRev.94.1140
50. W. Nolting, A. Vega, and Th. Fauster, Z. Phys. B 96, 357 (1995). 10.1007/BF01313058
51. P. Ruiz-Daz, J. L. Ricardo-Chvez, J. Dorantes-Dvila, and G. M. Pastor, Phys. Rev. B 81, 224431 (2010). 10.1103/PhysRevB.81.224431
52. M. Knickelbein, J. Chem. Phys. 102, 1 (1995). 10.1063/1.469392
53. T. Durakiewicz and S. Halas, Chem. Phys. Lett. 341, 195 (2001). 10.1016/S0009-2614(01)00459-6 (Pubitemid 33630795)
54. Z. Yang, Y. X. Wang, A. M. Guo, H. J. Zhu, and S. J. Xiong, Chem. Phys. 359, 82 (2009). 10.1016/j.chemphys.2009.03.010
55. G. M. Koretsky and M. B. Knickelbein, Eur. Phys. J. D 2, 273 (1998). 10.1007/s100530050140 (Pubitemid 128110838)
56. A. Delin, L. Fast, B. Johansson, J. M. Wills, and O. Eriksson, Phys. Rev. Lett. 79, 4637 (1997). 10.1103/PhysRevLett.79.4637
57. P. Bobadova-Parvanova, K. A. Jackson, S. Srinivas, and M. Horoi, Phys. Rev. B 66, 195402 (2002). 10.1103/PhysRevB.66.195402
58. B. V. Reddy, S. K. Nayak, S. N. Khanna, B. K. Rao, and P. Jena, Phys. Rev. B 74, 144434 (2006). 10.1103/PhysRevB.74.134403 (Pubitemid 44515026)