Strong spin-orbit effects in small Pt clusters: Geometric structure, magnetic isomers and anisotropy

Journal of Chemical Physics

Volumn 134, Issue 3, 2011, Pages

  Błoński, Piotr ^a   Dennler, Samuel ^b   Hafner, Jürgen ^a  

^a UNIVERSITY OF VIENNA   (Austria)

^b UNIVERSITÉ MONTPELLIER 2   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; DENSITY-FUNCTIONAL CALCULATIONS; ENERGY DIFFERENCES; GEOMETRIC STRUCTURE; GROUND STATE CONFIGURATION; MAGNETIC ANISOTROPY ENERGY; MAGNETIC ISOMERS; ORBITAL MAGNETIC MOMENT; ORBITAL MOMENT; PLANAR STRUCTURE; PT CLUSTERS; SPIN MOMENTS; SPIN STATE; SPIN-ORBIT COUPLINGS; SPIN-ORBIT EFFECTS; THREE-DIMENSIONAL STRUCTURE;

ISOMERS; MAGNETIC MOMENTS; MAGNETIZATION REVERSAL; PLATINUM; PLATINUM COMPOUNDS; SPIN DYNAMICS;

MAGNETIC ANISOTROPY;

EID: 79551649529     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3530799     Document Type: Article

References (54)

1. R. Wiesendanger, Rev. Mod. Phys. 81, 1495 (2009). 10.1103/RevModPhys.81. 1495
2. D. Sellmyer and R. Skomski, Advanced Magnetic Nanostructures (Springer, New York, 2006).
3. M. N. Huda, M. K. Niranjan, B. R. Sahu, and L. Kleinman, Phys. Rev. A 73, 053201 (2006). 10.1103/PhysRevA.73.053201 (Pubitemid 43668089)
4. H. Hkkinen, B. Yoon, U. Landman, X. Li, H.-J. Zhai, and L.-S. Wang, J. Phys. Chem. A 107, 6168 (2003). 10.1021/jp035437i
5. S. Gilb, P. Weis, F. Furche, R. Ahlrichs, and M. M. Kappes, J. Chem. Phys. 116, 4094 (2002). 10.1063/1.1445121 (Pubitemid 34452747)
6. F. Baletto and R. Ferrando, Rev. Mod. Phys. 77, 371 (2005). 10.1103/RevModPhys.77.371 (Pubitemid 41490661)
7. T. Futschek, M. Marsman, and J. Hafner, J. Phys.: Condens. Matter 17, 5927 (2005); 10.1088/0953-8984/17/38/001 (Pubitemid 41341246)
8. J. Phys.: Condens. Matter 18, 9703 (2006). 10.1088/0953-8984/18/42/016 (Pubitemid 44679526)
9. J. Kortus, T. Baruah, M. R. Pederson, C. Ashamn, and S. N. Khanna, Appl. Phys. Lett. 80, 4193 (2002). 10.1063/1.1482793 (Pubitemid 34690738)
10. L. Fernandez-Seivane and J. Ferrer, Phys. Rev. Lett. 99, 183401 (2007); 10.1103/PhysRevLett.99.183401 (Pubitemid 350074433)
11. Phys. Rev. Lett. 101, 069903 (2008); 10.1103/PhysRevLett.101.069903
12. see also supplementary material http://dx.doi.org/10.1063/1.3530799 E-JCPSA6-134-061048 Document No. E-PRLTAO-99-018745 for detailed information on interatomic distances and local spin and orbital moments.
13. T. O. Strandberg, C. M. Canali, and A. H. McDonald, Nature Mater. 6, 648 (2007); 10.1038/nmat1968 (Pubitemid 47359546)
14. Phys. Rev. B 77, 174416 (2008). 10.1103/PhysRevB.77.174416
15. D. Fritsch, K. Koepernik, M. Richter, and H. Eschrig, J. Comput. Chem. 29, 2210 (2008). 10.1002/jcc.21012
16. P. Boski and J. Hafner, Phys. Rev. B 79, 224418 (2009). 10.1103/PhysRevB.79.224418
17. S. Sahoo, A. Hucht, M. E. Gruner, G. Rollmann, P. Entel, A. Postnikov, J. Ferrer, L. Fernndez-Seivane, M. Richter, D. Fritsch, and S. Sil, Phys. Rev. B 82, 054418 (2010). 10.1103/PhysRevB.82.054418
18. Y. Mokrousov, G. Bihlmayer, S. Heinze, and S. Blgel, Phys. Rev. Lett. 96, 147201 (2006). 10.1103/PhysRevLett.96.147201
19. A. Smogunov, A. Dal Corso, and E. Tosatti, Nat. Nanotechnol. 3, 22 (2008). 10.1038/nnano.2007.419
20. J. Velev, R. F. Sabiryanov, S. S. Jaswal, and E. Y. Tsymbal, Phys. Rev. Lett. 94, 127203 (2005). 10.1103/PhysRevLett.94.127203 (Pubitemid 40620574)
21. P. Bruno, Phys. Rev. B 39, 865 (1989). 10.1103/PhysRevB.39.865
22. C. M. Canali, A. Cehovin, and A. H. McDonald, Phys. Rev. Lett. 91, 046805 (2003). 10.1103/PhysRevLett.91.046805
23. G. M. Pastor, J. Dorantes-Dvila, S. Pick, and H. Dreyssé, Phys. Rev. Lett. 75, 326 (1995). 10.1103/PhysRevLett.75.326
24. A. N. Andriotis and M. Menon, Phys. Rev. Lett. 93, 026402 (2004). 10.1103/PhysRevLett.93.026402
25. G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993); 10.1103/PhysRevB.47.558
26. Phys. Rev. B 49, 14251 (1994). 10.1103/PhysRevB.49.14251
27. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
28. P. E. Blchl, Phys. Rev. B 50, 17 953 (1994). 10.1103/PhysRevB.50.17953
29. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992); 10.1103/PhysRevB.46. 6671
30. Phys. Rev. B 48, 4978(E) (1993). 10.1016/0009-2509(93)80317-J
31. S. H. Vosko, L. Wilk and M. Nusair, Can. J. Phys. 58, 1200 (1980). 10.1139/p80-159
32. E. G. Moroni, G. Kresse, J. Hafner, and J. Furthmller Phys. Rev. B 65 15629 (1997). 10.1103/PhysRevB.56.15629
33. J. Anton, T. Jacob, B. Fricke, and E. Engel, Phys. Rev. Lett. 89, 213001 (2002). 10.1103/PhysRevLett.89.213001
34. G. Kresse and O. Lebacq, vasp Manual, http://cms.mpi.univie.ac.at/vasp/.
35. L. Kleinman, Phys. Rev. B 21, 2630 (1980). 10.1103/PhysRevB.21.2630
36. A. H. MacDonald, W. E. Pickett, and D. D. Koelling, J. Phys. C 13, 2675 (1980). 10.1088/0022-3719/13/14/009
37. D. Hobbs, G. Kresse, and J. Hafner, Phys. Rev. B 62, 11556 (2000). 10.1103/PhysRevB.62.11556 (Pubitemid 32373616)
38. M. Marsman and J. Hafner, Phys. Rev. B 66, 224409 (2002). 10.1103/PhysRevB.66.224409
39. G. H.O. Dalderoop, P. J. Kelly, and M. F. H. Schuurmans, Phys. Rev. B 50, 9989 (1994). 10.1103/PhysRevB.50.9989
40. E. Abata and M. Asdente, Phys. Rev. 140, A1303 (1965). 10.1103/PhysRev.140.A1303
41. L. Xiao and L. Wang, J. Phys. Chem A 108, 8605 (2004). 10.1021/jp0485035
42. A. Nie, J. Wu, C. Zhou, S. Yao, C. Luo, R. C. Forrey, and H. Cheng, Int. J. Quantum Chem. 107, 219 (2006). 10.1002/qua.21011
43. K. Bhattacharya and C. Majumder, Chem. Phys. Lett. 446, 374 (2007). 10.1016/j.cplett.2007.08.084 (Pubitemid 47445488)
44. A. Sebetci, Phys. Chem. Chem. Phys. 11, 921 (2009). 10.1039/b810837d
45. J. M. Soler, E. Artacho, J. D. Gale, A. Garca, J. Junquera, P. Ordejn, and D. Snchez-Portal, J. Phys.: Condens. Matter 14, 2745 (2002). 10.1088/0953-8984/14/11/302 (Pubitemid 34288362)
46. N. Troullier and J. M. Martins, Phys. Rev. B 43, 1993 (1991). 10.1103/PhysRevB.43.1993
47. L. Fernndez-Seivane, M. A. Oliveira, S. Sanvito, and J. Ferrer, J. Phys.: Condens. Matter 18, 7999 (2006). 10.1088/0953-8984/18/34/012
48. M. M. Airola and M. D. Morse, J. Chem. Phys. 113, 1313 (2002). 10.1063/1.1428753 (Pubitemid 34129989)
49. A. Sebetci, Chem. Phys. 331, 9 (2006). 10.1016/j.chemphys.2006.09.037
50. X. Lin, N. J. Ramer, A. M. Rappe, K. C. Hass, W. F. Schneider, and B. L. Trout, J. Phys. Chem. 105, 7739 (2001). 10.1021/jp011133p
51. M. de Graef, Metall. Mater. Trans. A 41, 1321 (2010). 10.1007/s11661-010-0171-0
52. D. Majumdar, D. Dai, and K. Balasubramanian, J. Chem. Phys. 113, 7919 (2000). 10.1063/1.1316039 (Pubitemid 32023190)
53. D. Dai and K. Balasubramanian, J. Chem. Phys. 102, 648 (1995). 10.1063/1.470098
54. P. Boski and J. Hafner, Geometric and magnetic properties of Pt clusters supported on graphene: relativistic density-functional calculations., to be published.