Kondo conductance across the smallest spin 1/2 radical molecule

Proceedings of the National Academy of Sciences of the United States of America

Volumn 111, Issue 1, 2014, Pages 69-74

  Requist, Ryan ^a   Modesti, Silvio ^b   Baruselli, Pier Paolo ^a,c,d   Smogunov, Alexander ^e   Fabrizio, Michele ^a,d   Tosatti, Erio ^a,d,f  

^a SISSA   (Italy)

^b UNIVERSITY OF TRIESTE   (Italy)

^c DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

^d IOM CNR LABORATORIO TASC   (Italy)

^e CNRS UMR 3299   (France)

^f ABDUS SALAM INTERNATIONAL CENTRE FOR THEORETICAL PHYSICS   (Italy)

Author keywords

Anderson impurity model; Ballistic conductance; Nanocontacts; Phase shift

Indexed keywords

LIQUID NITROGEN; NITRIC OXIDE;

AB INITIO CALCULATION; ARTICLE; COMPARATIVE STUDY; DENSITY FUNCTIONAL THEORY; ELECTRIC CONDUCTIVITY; GEOMETRY; MOLECULAR ELECTRONICS; PREDICTOR VARIABLE; PRIORITY JOURNAL; SCANNING TUNNELING MICROSCOPY; TEMPERATURE DEPENDENCE;

EID: 84891923128     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1322239111     Document Type: Article

References (46)

1. Aviram A, Ratner MA (1974) Molecular rectifiers. Chem Phys Lett 29(2): 277-283.
2. Reed MA, et al. (1997) Conductance of a molecular junction. Science 278: 252-254.
3. Joachim C, Gimzewski JK, Aviram A (2000) Electronics using hybrid-molecular and mono-molecular devices. Nature 408(6812): 541-548.
4. Hewson A (1993) The Kondo Problem to Heavy Fermions (Cambridge Univ Press, Cambridge, UK).
5. Madhavan V, Chen W, Jamneala T, Crommie MF, Wingreen NS (1998) Tunneling into a single magnetic atom: Spectroscopic evidence of the kondo resonance. Science 280(5363): 567-569.
6. Li J, Schneider W-D, Berndt R, Delley B (1998) Kondo scattering observed at a single magnetic impurity. Phys Rev Lett 80(13): 2893-2896.
7. Parks JJ, et al. (2010) Mechanical control of spin states in spin-1 molecules and the underscreened Kondo effect. Science 328(5984): 1370-1373.
8. Scott GD, Natelson D (2010) Kondo resonances in molecular devices. ACS Nano 4(7): 3560-3579.
9. Wahl P, et al. (2005) Kondo effect of molecular complexes at surfaces: Ligand control of the local spin coupling. Phys Rev Lett 95(16):166601.
10. Zhao A, et al. (2005) Controlling the Kondo effect of an adsorbed magnetic ion through its chemical bonding. Science 309(5740): 1542-1544.
11. Iancu V, Deshpande A, Hla S-W (2006) Manipulating Kondo temperature via single molecule switching. Nano Lett 6(4): 820-823.
12. Jiang Y, Zhang YN, Cao JX, Wu RQ, Ho W (2011) Real-space imaging of Kondo screening in a two-dimensional O2 lattice. Science 333(6040): 324-328.
13. Mugarza A, et al. (2011) Spin coupling and relaxation inside molecule-metal contacts. Nat Commun 2:490.
14. Müllegger S, Rashidi M, Fattinger M, Koch R (2012) Interactions and self-assembly of stable hydrocarbon radicals on a metal support. J Phys Chem C Nanomater Interfaces 116(42): 22587-22594.
15. Müllegger S, Rashidi M, Fattinger M, Koch R (2013) Surface-supported hydrocarbon π radicals show Kondo behavior. J Phys Chem C Nanomater Interfaces 117(11): 5718-5721.
16. Zhang Y-H, et al. (2013) Temperature and magnetic field dependence of a Kondo system in the weak coupling regime. Nat Commun 4:2110.
17. Park J, et al. (2002) Coulomb blockade and the Kondo effect in single-atom transistors. Nature 417(6890): 722-725.
18. Parks JJ, et al. (2007) Tuning the Kondo effect with a mechanically controllable break junction. Phys Rev Lett 99(2):026601.
19. Osorio EA, et al. (2007) Electronic excitations of a single molecule contacted in a three-terminal configuration. Nano Lett 7(11): 3336-3342.
20. Lucignano P, Mazzarello R, Smogunov A, Fabrizio M, Tosatti E (2009) Kondo conductance in an atomic nanocontact from first principles. Nat Mater 8(7): 563-567.
21. Baruselli PP, Smogunov A, Fabrizio M, Tosatti E (2012) Kondo effect of magnetic impurities in nanotubes. Phys Rev Lett 108(20):206807.
22. Baruselli PP, Smogunov A, Fabrizio M, Tosatti E (2012) Kondo effect of magnetic impurities on nanotubes. Physica E 44(6): 1040-1044.
23. Costi TA, et al. (2009) Kondo decoherence: Finding the right spin model for iron impurities in gold and silver. Phys Rev Lett 102(5):056802.
24. Jacob D, Haule K, Kotliar G (2009) Kondo effect and conductance of nanocontacts with magnetic impurities. Phys Rev Lett 103(1):016803.
25. Dias da Silva LGGV, Tiago ML, Ulloa SE, Reboredo FA, Dagotto E (2009) Many-body electronic structure and Kondo properties of cobalt-porphyrin molecules. Phys Rev B 80:155443.
26. Surer B, et al. (2012) Multiorbital Kondo physics of Co in Cu hosts. Phys Rev B 85: 085114.
27. Yoshimori A (1995) Does a localized spin of adsorbed NO survive on Cu(111)? Surf Sci 342:L1101-L1103.
28. Pérez Jigato M, King DA, Yoshimori A (1999) The chemisorption of spin polarized NO on Ag{111}. Chem Phys Lett 300: 639-644.
29. Wäckerlin C, et al. (2010) Controlling spins in adsorbed molecules by a chemical switch. Nat Commun 1:61.
30. Zitko R, Pruschke T (2009) Energy resolution and discretization artifacts in the numeric renormalization group. Phys Rev B 79:085106.
31. Frota HO (1992) Shape of the Kondo resonance. Phys Rev B Condens Matter 45(3): 1096-1099.
32. Barth JV, Brune H, Ertl G, Behm RJ (1990) Scanning tunneling microscopy observations on the reconstructed Au(111) surface: Atomic structure, long-range superstructure, rotational domains, and surface defects. Phys Rev B Condens Matter 42(15): 9307-9318.
33. McClure SM, Kim TS, Stiehl JD, Tanaka PL, Mullins CB (2004) Adsorption and reaction of nitric oxide with atomic oxygen covered Au(111). J Phys Chem B 108(46):17952.
34. Smogunov A, Dal Corso A, Tosatti E (2004) Ballistic conductance of magnetic Co and Ni nanowires with ultrasoft pseudopotentials. Phys Rev B 70:045417.
35. Forster F, Benounan A, Reinert F, Grigoryan VG, Springborg M (2007) Surf Sci 601: 5595-5604.
36. Zitko R (2013) NRG Ljubljana. Available at http://nrgljubljana.ijs.si. Accessed March 1, 2013.
37. Bulla R, Costi TA, Pruschke T (2008) Numerical renormalization group method for quantum impurity systems. Rev Mod Phys 80: 395-450.
38. Prüser H, Wenderoth M, Weismann A, Ulbrich RG (2012) Mapping itinerant electrons around Kondo impurities. Phys Rev Lett 108(16):166604.
39. Choi M-S, López R, Aguado R (2005) SU(4) Kondo effect in carbon nanotubes. Phys Rev Lett 95(6):067204.
40. Újsághy O, Kroha J, Szunyogh L, Zawadowski A (2000) Theory of the fano resonance in the STM tunneling density of states due to a single kondo impurity. Phys Rev Lett 85(12): 2557-2560.
41. Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Phys Rev Lett 77(18): 3865-3868.
42. Giannozzi P, et al. (2009) QUANTUM ESPRESSO: A modular and open-source software project for quantum simulations of materials. J Phys Condens Matter 21(39):395502.
43. Weichselbaum A, von Delft J (2007) Sum-rule conserving spectral functions from the numerical renormalization group. Phys Rev Lett 99(7):076402.
44. Bulla R, Hewson AC, Pruschke T (1998) Numerical renormalization group calculations for the self-energy of the impurity Anderson model. J Phys Condens Matter 10: 8365-8380.
45. Bulla R, Costi TA, Vollhardt D (2001) Finite-temperature numerical renormalization group study of the Mott transition. Phys Rev B 64:045103.
46. Momma K, Izumi F (2013) VESTA visualization program. Available at http://jp-minerals. org/vesta. Accessed February 1, 2013.