Electrostatic spin crossover effect in polar magnetic molecules

Nature Materials

Volumn 8, Issue 10, 2009, Pages 813-817

  Baadji, Nadjib ^a   Piacenza, Manuel ^b   Tugsuz, Tugba ^b   Della Sala, Fabio ^b   Maruccio, Giuseppe ^b,c   Sanvito, Stefano ^a  

^a TRINITY COLLEGE DUBLIN   (Ireland)

^b NATIONAL NANOTECHNOLOGY LABORATORY   (Italy)

^c UNIVERSITY OF SALENTO   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC POTENTIAL; ELECTROSTATICS; MAGNETISM; MOLECULES;

ALTERNATIVE ROUTES; EXTERNAL MAGNETIC FIELD; INVERSION SYMMETRY; MAGNETIC CONFIGURATION; MAGNETIC INTERACTIONS; MAGNETIC MOLECULES; SPIN TRANSFER TORQUE; TWO-TERMINAL DEVICES;

SYNTHESIS (CHEMICAL);

EID: 70349345885     PISSN: 14761122     EISSN: 14764660     Source Type: Journal    
DOI: 10.1038/nmat2525     Document Type: Article

References (33)

1. Meier, F., Zhou, L., Wiebe, J. & Wiesendanger, R. Revealing magnetic interactions from single-atom magnetization curves. Science 320, 82-86 (2008).
2. Hirjibehedin, C. F. et al. Large magnetic anisotropy of a single atomic spin embedded in a surface molecular network. Science 317, 1199-1203 (2007).
3. Slonczewski, J. Current-driven excitation of magnetic multilayers. J. Magn. Magn. Mater. 159, L1-L7 (1996).
4. Gütlich, P. & Goodwin, H. A. in Spin Crossover in Transition Metal Compounds (eds Gütlich, P. & Goodwin, H. A.) (Springer, 2004).
5. Sanvito, S. Injecting and controlling spins in organic materials. J. Mater. Chem. 17, 4455-4459 (2007).
6. 6. Bogani, L. & Wernsdorfer, W. Molecular spintronics using single-molecule magnets. Nature Mater. 7, 179-186 (2008). (Pubitemid 351311291)
7. Mannini, M. et al. Magnetic memory of a single-molecule quantum magnet wired to a gold surface. Nature Mater. 8,1 94-197 (2009).
8. Timco, G. A. et al. Engineering the coupling between molecular spin qubits by coordination chemistry. Nature Nanotech. 4, 173-178 (2009).
9. 9. Diefenbach, M. & Kim, K. S. Towards molecular magnetic switching with an electric bias. Angew. Chem. Int. Ed. 46, 7784-7787 (2007). (Pubitemid 47557016)
10. Nguyen, P., Gómez-Elipe, P. & Manners, I. Organometalic polymers with transition metals in the main chain. Chem. Rev. 99, 1515-1548 (1999).
11. Van Vleck, J. H. Recent developments in the theory of antiferromagnetism. J. Phys. Radium 12, 262-274 (1951).
12. Liu, R., Ke, S.-H., Baranger, H. U. & Yang, W. Organometallic spintronics: Dicobaltocene switch. Nano Lett. 5, 1959-1962 (2005).
13. Ammeter, J. H. & Swalen, J. D. Electronic structure and dynamic Jahn-Teller effect of cobaltocene from EPR and optical studies. J. Chem. Phys. 57, 678-698 (1972).
14. 2Co, by gaseous electron diffraction. J. Chem. Phys. 63, 1262-1266 (1975).
15. Eicher, H. & Köhler, F.W. Determination of the electronic structure, the spin density distribution, and approach to the geometric structure of substituted cobaltocenes from NMR spectroscopy in solution. Chem. Phys. 128, 297-309(1988).
16. Pennanen, T. O. & Vaara, J. Density-functional calculations of relativistic spin-orbit effects on nuclear magnetic shielding in paramagnetic molecules. J. Chem. Phys. 123, 174102 (2005).
17. Parr, R. G. & Yang, W. Density-Functional Theory of Atoms and Molecules (Oxford Univ. Press, 1989).
18. Koch, W. & Holthausen, M. A Chemist's Guide to Density Functional Theory (Wiley-VCH, 2001).
19. Ahlrichs, R. et al. TURBOMOLE (Vers. 5.9) Universität Karlsruhe, Karlsruhe, Germany. See also: (2007).
20. Lee, C., Yang, W. & Parr, R. G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B 37, 785-789 (1988).
21. Becke, A. D. Density-functional thermochemistry. III. The role of exact exchange J. Chem. Phys. 98, 5648-5652 (1993).
22. de P. R. Moreira, I., Illas, F. & Martin, R. Effect of Fock exchange on the electronic structure and magnetic coupling in NiO. Phys. Rev. B 65, 155102(2002).
23. 4-l, 3-cyclopentadienyl-5-exo-yl)]-ethyne (1) and di-cobaltocenylium-ethyne-di- hexafluorophosphate (2). Electrochem. Ada 38,1527-1533 (1993).
24. Rocha, A. R. et al Towards molecular spintronics. Nature Mater. 4, 335-339 (2005).
25. Rocha, A. R. et al. Spin and molecular electronics in atomically-generated orbital landscapes. Phys. Rev. B. 73, 085414 (2006).
26. .
27. Rungger, I. & Sanvito, S. Algorithm for the construction of self-energies for electronic transport calculations based on singularity elimination and singular value decomposition. Phys. Rev. B 78, 035407 (2008).
28. Toher, C. & Sanvito, S. Effects of self-interaction corrections on the transport properties of phenyl-based molecular junctions. Phys. Rev. B 77, 155402 (2008).
29. 29. Toher, C. & Sanvito, S. Efficient atomic self-interaction correction scheme for nonequilibrium quantum transport. Phys. Rev. Lett. 99, 056801 (2007). (Pubitemid 47187111)
30. Ginsberg, A. P. Magnetic exchange in transition metal complexes. 12. Calculation of cluster exchange coupling constants with the X-α-scattered wave method J., Am. Chem. Soc. 102, 111-117 (1980).
31. Noodleman, L. Valence bond description of antiferromagnetic coupling in transition metal dimers J. Chem. Phys. 74, 5737-5743 (1981).
32. 2 complex: Comparison of broken-symmetry approaches. Chem. Phys. Lett. 319, 223-230 (2000).
33. Schäfer, A., Huber, C. & Ahlrichs, R. Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr. J. Chem. Phys. 100, 5829-5835(1994).