SCOPE OF THE SCHOOL
This summer school is intended for graduate and post-graduate scientists interested in learning about and advancing the multidisciplinary field of spin-dependent transport across nanomagnetic elements. The school will consist of morning and evening lectures and afternoon computational tutorials.
A goal of this conference is to have the participants prepare and publish a small data base on the properties of several molecular islands, functional tethers, and substrates (electrodes) which together could then be used as a set of building blocks of molecular-scale circuits and transistors. Through a series of lectures, hands-on tutorials, and emulation of database construction, participants will be exposed to several of the primary theoretical and computational problems associated with realistic modeling of molecular spintronics.
One focus of the lectures and tutorials will be to address the calculation of electronic transport and transfer mechanisms within quantum-mechanical methods coupled to master-equation formulations and Landauer-Butikker approaches and to further discuss prospects for generalizing these methods to systems where the active transport electron can change the properties of the magnetic island during the process of traversing the island. With respect to the understanding of field- or charge- induced control of the nanomagnetic islands, lectures will be presented on the theory and simulation of mechanisms that control spin-ordering and magnetic anisotropy in molecular magnetic islands and on several ways that external fields may be used to vary the energetics of the magnetic/spin states or to drive the tunneling or transitions between different orientations of magnetic moments or spin eigenstates.
A third focus of this school will be predictive modeling of the degree to which substrate morphologies, selection of molecular tethers, and mismatches in island-electrode electronegativities , perturb and/or change, the properties of the molecular islands. Within this context the current need for improving the description of electronic exchange and correlation will be featured. Both density-functional and many-electron wave-function-based methods will be addressed.
Lectures will begin with a review of the experimental status of bulk phases of molecular magnets, molecular magnets on surfaces and transport across molecular magnets. The experimental overview will include discussions on the synthesis of novel functional magnetic molecules.
- High spin molecules, R. Sessoli, H. Tsai, A. Schake, S. Y. Wang, J. B. Vincent, K. Folting, D. Gatteschi, G. Christou, and D. N. Hendrickson, J. Am. Chem. Soc. 115, 1804 (1993).
- Macroscopic quantum tunneling of magnetization in a single crystal of nanomagnets, L. Thomas F. Lionti, R. Ballou, D. Gatteschi, R. Sessoli, and B. Barbara, Nature 383 145-157 (1996).
- Macroscopic measurement of resonant magnetization tunneling in high-spin molecules, J.R. Friedman, M.P. Sarachik, J. Tejada and R. Ziolo, Phys. Rev. Lett. 76 3830 (1996).
- Electronic transport in mesoscopic systems, S. Datta, Cambridge University Press, (1997).
- Magnetic anisotropy barrier for spin tunneling in Mn12O12 molecules, M. R. Pederson and S. N. Khanna, Phys. Rev. B 60, 9566 (1999).
- Density functional studies of single molecule magnets, J. Kortus, M. R. Pederson, T. Baruah, N. Bernstein,and C. Hellberg, Polyhedron 22, 1871 (2003).
- Effect of extra electrons on the exchange and magnetic anisotropy in the anionic single molecule magnet Mn12, , K. Park and M.R. Pederson, Phys. Rev. B 70 054414 (2004).
- D. Gatteschi, R. Sessoli, and J. Villain, Molecular Nanomagnets (Oxford University Press, Oxford, 926 2006).
- Towards molecular spintronics, A. R. Rocha, V. M. Garcia-Suarez, S. W. Bailey, C. J. Lambert, J. Ferrer, and S. Sanvito, Nat.Mater. 4, 335 (2005).
- Signatures of molecular magnetism in single-molecule transport spectroscopy, M.-H. Jo, J. E. Grose, K. Baheti, M. M. Deshmukh,J. J. Sokol, E. M. Rumberger, D. N. Hendrickson, J. R. Long, H. Park, and D. C. Ralph, Nano Lett. 6, 2014 (2006).
- Electron Transport through single Mn12 molecular magnets, H. B. Heersche, Z. de Groot, J. A. Folk, H. S. J. van der Zant, C. Romeike, M. R. Wegewijs, L. Zobbi, D. Barreca, E. Tondello, and A. Cornia, Phys. Rev. Lett. 96, 206801 (2006)
- Cotunneling and nonequilibrium magnetization in magnetic molecular monlayers, F. Elste and C. Timm, Phys. Rev. B 75, 195341 (2007).
- Tunneling through magnetic molecules with arbitrary angles between easy axis and magnetic field, C. Timm, Phys. Rev. B 76, 014421 (2007).
- Spurious fractional charge on dissociated atoms: pervasive and resilient self-interaction error of common density functionals, A. Ruzsinszky, J.P. Perdew, G.I. Csonka, O.A. Vydrov, and G.E. Scuseria J. Chem. Phys. 125, 194112 (2006).
- Assessing the zero-field splitting in magnetic molecules by wavefunction-based methods, C. de Graaf and C. Sousa, Int. Journal of Quantum Chemistry 106 2470 (2006).
- Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions, A. Georges, G. Kotliar, W. Krauth and M.J. Rozenberg, Rev. Mod. Phys. 68, 13 (1996).
- The generalized active space concept in multiconfigurational self-consistent- field methods, D. Ma, G. Li Manni, and L. Gagliardi J. Chem. Phys., 135, 044128, (2011).
- Spin electric effects in molecular antiferromagnets, M. Trif, F. Troiani, D. Stepanenko, and D. Loss, Phys. Rev. B 82, 045429 (2010).
- First-principles study of spin-electric coupling in a Cu3 single molecule magnet, MF Islam, JF Nossa, CM Canali, and MR Pederson, Phys. Rev. B 82 155446 (2010).