First-principles study of electron transport through the single-molecule magnet Mn12

Physical Review Letters

Volumn 102, Issue 24, 2009, Pages

  Barraza Lopez, Salvador ^a,d   Park, Kyungwha ^a   García Suárez, Víctor ^b   Ferrer, Jaime ^c  

^a VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

^b LANCASTER UNIVERSITY   (United Kingdom)

^c CINN CSIC UNIOVI PA   (Spain)

^d GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AU ELECTRODES; ELECTRON TRANSPORT; FIRST PRINCIPLES METHOD; FIRST-PRINCIPLES STUDY; LOCAL ENVIRONMENTS; MODEL HAMILTONIANS; MOLECULAR GEOMETRIES; QUALITATIVE DIFFERENCES; SINGLE-MOLECULE MAGNET; SPIN FILTERING; STRONG ELECTRON CORRELATIONS;

CHARGED PARTICLES; ELECTRON TRANSITIONS; ELECTRON TRANSPORT PROPERTIES; MAGNETS; SOLID STATE PHYSICS; SPIN DYNAMICS;

CHARGE DISTRIBUTION;

EID: 67549127234     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.102.246801     Document Type: Article

References (30)

1. Y. Meir, Phys. Rev. Lett. 66, 3048 (1991). PRLTAO 0031-9007 10.1103/PhysRevLett.66.3048
2. D. Goldhaber-Gordon, Nature (London) NATUAS 0028-0836 391, 156 (1998). 10.1038/34373
3. S.M. Cronenwett, Science 281, 540 (1998). SCIEAS 0036-8075 10.1126/science.281.5376.540
4. H.B. Heersche, Phys. Rev. Lett. 96, 206801 (2006). PRLTAO 0031-9007 10.1103/PhysRevLett.96.206801
5. M.-H. Jo, Nano Lett. 6, 2014 (2006). NALEFD 1530-6984 10.1021/nl061212i
6. J.J. Henderson, J. Appl. Phys. 101, 09E102 (2007). JAPIAU 0021-8979 10.1063/1.2671613
7. S. Voss, Phys. Rev. B PRBMDO 1098-0121 78, 155403 (2008). 10.1103/PhysRevB.78.155403
8. A recent report [M. Mannini, Nature Mater. 8, 194 (2009)] on a thin film of SMMs Fe4 showed a possibility of stabilization of SMMs on surfaces. NMAACR 1476-1122 10.1038/nmat2374
9. S. Barraza-Lopez, Phys. Rev. B PRBMDO 1098-0121 76, 224413 (2007). 10.1103/PhysRevB.76.224413
10. S. Barraza-Lopez, J. Appl. Phys. 103, 07B907 (2008). JAPIAU 0021-8979 10.1063/1.2830014
11. S. Barraza-Lopez, J. Appl. Phys. 105, 07E309 (2009). JAPIAU 0021-8979 10.1063/1.3072789
12. G.-H. Kim and T.-S. Kim, Phys. Rev. Lett. 92, 137203 (2004). PRLTAO 0031-9007 10.1103/PhysRevLett.92.137203
13. C. Romeike, Phys. Rev. Lett. 96, 196805 (2006). PRLTAO 0031-9007 10.1103/PhysRevLett.96.196805
14. M.N. Leuenberger and E.R. Mucciolo, Phys. Rev. Lett. 97, 126601 (2006). PRLTAO 0031-9007 10.1103/PhysRevLett.97.126601
15. F. Elste and C. Timm, Phys. Rev. B PRBMDO 1098-0121 73, 235305 (2006). 10.1103/PhysRevB.73.235305
16. G. González, Phys. Rev. B PRBMDO 1098-0121 78, 054445 (2008). 10.1103/PhysRevB.78.054445
17. L. Michalak, arXiv:0812.1058.
18. A.R. Rocha, Phys. Rev. B PRBMDO 1098-0121 73, 085414 (2006). 10.1103/PhysRevB.73.085414
19. L. Fernández-Seivane, J. Phys. Condens. Matter JCOMEL 0953-8984 18, 7999 (2006). 10.1088/0953-8984/18/34/012
20. J.M. Soler, J. Phys. Condens. Matter JCOMEL 0953-8984 14, 2745 (2002); 10.1088/0953-8984/14/11/302
21. J. Junquera, Phys. Rev. B PRBMDO 1098-0121 64, 235111 (2001); 10.1103/PhysRevB.64.235111
22. P. Ordejón, Phys. Rev. B PRBMDO 1098-0121 51, 1456 (1995). 10.1103/PhysRevB.51.1456
23. J.P. Perdew, Phys. Rev. Lett. 77, 3865 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
24. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 1098-0121 54, 11169 (1996); 10.1103/PhysRevB.54.11169
25. G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 6, 15 (1996). 10.1016/0927-0256(96)00008-0
26. A.L. Barra, Phys. Rev. B PRBMDO 1098-0121 56, 8192 (1997); 10.1103/PhysRevB.56.8192
27. S. Hill, Phys. Rev. Lett. 80, 2453 (1998). PRLTAO 0031-9007 10.1103/PhysRevLett.80.2453
28. H.J. Eppley, J. Am. Chem. Soc. 117, 301 (1995); JACSAT 0002-7863 10.1021/ja00106a033
29. M. Soler, J. Am. Chem. Soc. 125, 3576 (2003). JACSAT 0002-7863 10.1021/ja021066s
30. R. Basler, Inorg. Chem. 44, 649 (2005). INOCAJ 0020-1669 10.1021/ic048931p