Origin of the anomalous magnetic behavior of the Fe 13 + cluster

Physical Review B - Condensed Matter and Materials Physics

Volumn 86, Issue 17, 2012, Pages

  Wu, M ^a   Kandalam, A K ^b   Gutsev, G L ^c   Jena, P ^a  

^a VIRGINIA COMMONWEALTH UNIVERSITY   (United States)

^b WEST CHESTER UNIVERSITY   (United States)

^c FLORIDA A AND M UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84870048976     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.86.174410     Document Type: Article

References (42)

1. F. Liu, M. R. Press, S. N. Khanna, and P. Jena, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.39.6914 39, 6914 (1989);
2. M. R. Press, F. Liu, S. N. Khanna, and P. Jena, Phys. Rev. B 1098-0121 10.1103/PhysRevB.40.399 40, 399 (1989).
3. M. Castro, S.-R. Liu, H.-J. Zhai, and L.-S. Wang, J. Chem. Phys. 0021-9606 10.1063/1.1532000 118, 2116 (2003).
4. S. E. Weber, B. K. Rao, P. Jena, V. S. Stepanyuk, W. Hergert, K. Wildberger, R. Zeller, and P. H. Dederichs, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/9/48/016 9, 10739 (1997).
5. Y.-C. Bae, H. Osanai, V. Kumar, and Y. Kawazoe, Phys. Rev. B 1098-0121 10.1103/PhysRevB.70.195413 70, 195413 (2004). (Pubitemid 40139563)
6. V. Kumar and Y. Kawazoe, Eur. Phys. J. D 1434-6060 10.1140/epjd/e2003- 00193-6 24, 81 (2003). (Pubitemid 36977509)
7. M. Moseler, H. Häkkinen, R. N. Barnett, and U. Landman, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.86.2545 86, 2545 (2001). (Pubitemid 32286699)
8. B. V. Reddy, S. N. Khanna, and B. I. Dunlap, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.70.3323 70, 3323 (1993);
9. B. V. Reddy, S. K. Nayak, S. N. Khanna, B. K. Rao, and P. Jena, Phys. Rev. B 1098-0121 10.1103/PhysRevB.59.5214 59, 5214 (1999).
10. A. J. Cox, J. G. Louderback, and L. A. Bloomfield, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.71.923 71, 923 (1993).
11. L. A. Bloomfield, J. Deng, H. Zhang, and J. W. Emmert, in Proceedings of the International Symposium on Cluster and Nanostructure Interface, edited by, P. Jena, S. N. Khanna, and, B. K. Rao, (World Scientific, Singapore, 2000), p. 131.
12. M. B. Knickelbein, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.86.5255 86, 5255 (2001). (Pubitemid 32535490)
13. I. M. L. Billas, J. A. Becker, A. Chĝtelain, and W. A. de Heer, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.71.4067 71, 4067 (1993).
14. I. M. L. Billas, A. Chĝtelain, and W. A. de Heer, Science 0036-8075 10.1126/science.265.5179.1682 265, 1682 (1994).
15. S. E. Apsel, J. W. Emmert, J. Deng, and L. A. Bloomfield, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.76.1441 76, 1441 (1996).
16. R. A. Guirado-López, J. Dorantes-Dávila, and G. M. Pastor, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.90.226402 90, 226402 (2003).
17. S. Sahoo, A. Hucht, M. E. Gruner, G. Rollmann, P. Entel, A. Postnikov, J. Ferrer, L. Fernández-Seivane, M. Richter, D. Fritsch, and S. Sil, Phys. Rev. B 1098-0121 10.1103/PhysRevB.82.054418 82, 054418 (2010).
18. M. Niemeyer, K. Hirsch, V. Zamudio-Bayer, A. Langenberg, M. Vogel, M. Kossick, C. Ebrecht, K. Egashira, A. Terasaki, T. Möller, B. v. Issendorff, and J. T. Lau, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.108.057201 108, 057201 (2012).
19. G. L. Gutsev, M. Mochena, P. Jena, C. W. Bauschlicher, Jr., and H. Partridge III, J. Chem. Phys. 0021-9606 10.1063/1.1788656 121, 6785 (2004).
20. G. L. Gutsev and C. W. Bauschlicher, Jr., J. Phys. Chem. A 1089-5639 10.1021/jp030288p 107, 7013 (2003).
21. P. Bobadova-Parvanova, K. A. Jackson, S. Srinivas, and M. Horoi, Phys. Rev. B 1098-0121 10.1103/PhysRevB.66.195402 66, 195402 (2002).
22. O. Diéguez, M. M. G. Alemany, C. Rey, P. Ordejón, and L. J. Gallego, Phys. Rev. B 1098-0121 10.1103/PhysRevB.63.205407 63, 205407 (2001).
23. R. Singh and P. Kroll, Phys. Rev. B 1098-0121 10.1103/PhysRevB.78.245404 78, 245404 (2008).
24. G. L. Gutsev, C. A. Weatherford, P. Jena, E. Johnson, and B. R. Ramachandran, J. Phys. Chem. C 1932-7447 10.1021/jp300403p 116, 7050 (2012).
25. G. Rollmann, P. Entel, and S. Sahoo, Comput. Mater. Sci. 0927-0256 10.1016/j.commatsci.2004.09.059 35, 275 (2006). (Pubitemid 41737482)
26. M. J. Piotrowski, P. Piquini, and J. L. F. Da Silva, Phys. Rev. B 1098-0121 10.1103/PhysRevB.81.155446 81, 155446 (2010).
27. G. Kresse and J. Furthmüller, Phys. Rev. B 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996).
28. B. Delley, J. Chem. Phys. 0021-9606 10.1063/1.458452 92, 508 (1990);
29. B. Delley, J. Chem. Phys. 0021-9606 10.1063/1.1316015 113, 7756 (2000). dmol 3 is available as part of Materials Studio software. (Pubitemid 32023170)
30. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, gaussian 09, Revision B.01 (Gaussian, Inc., Wallingford, CT, 2009).
31. P. E. Blöchl, Phys. Rev. B 1098-0121 10.1103/PhysRevB.50.17953 50, 17953 (1994).
32. K. Raghavachari and G. W. Trucks, J. Chem. Phys. 0021-9606 10.1063/1.457230 91, 1062 (1989).
33. A. D. Becke, Phys. Rev. A 1050-2947 10.1103/PhysRevA.38.3098 38, 3098 (1988).
34. J. P. Perdew and Y. Wang, Phys. Rev. B 1098-0121 10.1103/PhysRevB.45. 13244 45, 13244 (1992).
35. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 1098-0121 10.1103/PhysRevB.46.6671 46, 6671 (1992).
36. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
37. E. K. Parks, T. D. Klots, and S. J. Riley, J. Chem. Phys. 0021-9606 10.1063/1.457839 92, 3813 (1990).
38. S. Yang and M. B. Knickelbein, J. Chem. Phys. 0021-9606 10.1063/1.459131 93, 1533 (1990).
39. M. B. Knickelbein, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(02) 00024-6 353, 221 (2002).
40. G. L. Gutsev and C. W. Bauschlicher, Jr., J. Phys. Chem. A 1089-5639 10.1021/jp030146v 107, 4755 (2003).
41. L. Lian, C.-X. Su, and P. B. Armentrout, J. Chem. Phys. 0021-9606 10.1063/1.463912 97, 4072 (1992).
42. H. M. Duan and Q. Q. Zheng, Phys. Lett. A 0375-9601 10.1016/S0375- 9601(01)00068-8 280, 333 (2001). (Pubitemid 32230323)