Electron Transport in Condensed Phases.
Dissipation and Relaxation Processes.
Non-equilibrium Open Quantum Systems.
Ph.D., Chemical Physics, Tel Aviv University
M.S., Theoretical Physics, Ural State University
Awards and Academic Honors
Hellman Faculty Fellow
DOE Early Career Award
LANL Director's Postdoctoral Fellowship
The Israel Chemical Society, J. Jortner prize
1. Transport in molecular junctions.
One of distinct features of molecules as compared e.g. to quantum dots is their flexibility, so that inelastic effects in transport through molecular devices is more pronounced. Currently inelastic quantum transport through tunneling junctions at resonance can be treated properly only in the weak electron-vibration coupling (when coupling to contacts is much stronger than interactions on the bridge). The other extreme is usually treated either within semi-classical (master equation) approaches or is based on scattering theory considerations. In the last case electron-vibration coupling can be taken into account exactly (or numerically exactly), but all junction related information (Fermi seas in the contacts and their influence on the bridge processes) is lost. We try to develop theoretical techniques to improve quality of calculations in the strongly correlated regime. The last is of particular importance for practical applications (molecular switches, memory, optoelectronic devices etc.)
2. Molecular spectroscopy at non-equilibrium.
Spectroscopy is done usually in the language of molecular states, while ab initio scheme treat transport mostly at the level of effective single-electron orbitals. The goal is development of theoretical tools for description of non-equilibrium molecular systems in the language of many-body states. Accomplishing this task will take into account state-specific molecular properties: change of electronic structure of the molecule upon oxidation/reduction or excitation by external field, charge specific frequencies of vibrations, anharmonicities and non-Born-Oppenheimer couplings. It will also make possible to introduce standard quantum chemistry methods into description of molecular transport, and will treat of non-equilibrium state of the molecule (e.g. transport) and its interaction with light on the same footing.
Primary Research Area
Computational and Theoretical
- A. J. White and M. Galperin. "Inelastic transport: a pseudoparticle approach" Phys. Chem. Chem. Phys. The Royal Society of Chemistry, 14, 13809-13819 (2012)
- A. J. White, B. D. Fainberg, and M. Galperin, "Collective Plasmon-Molecule Excitations in Nanojunctions: Quantum Consideration" J. Phys. Chem. Lett. 3, 2738-2743 (2012)
- D. Rai and M. Galperin. "Spin inelastic currents in molecular ring junctions" Phys. Rev. B 86, 045420 (2012)
- M. Galperin and A. Nitzan. "Molecular optoelectronics: The interaction of molecular conduction junctions with light" Phys. Chem. Chem. Phys. 14, 9421-9438 (2012)
- U. Peskin and M. Galperin. "Coherently controlled molecular junctions" J. Chem. Phys. 136, 044107 (2012)
- T.-H. Park and M. Galperin. "Charge transfer contribution to surface-enhanced Raman scattering in a molecular junction: Time-dependent correlations" Phys. Rev. B 84, 075447 (2011)
- T.-H. Park and M. Galperin. "Self-consistent full counting statistics of inelastic transport" Phys. Rev. B 84, 205450 (2011)
- J. Fransson and M. Galperin. "Inelastic scattering and heating in a molecular spin pump" Phys. Rev. B 81, 075311 (2010)
- M. Esposito and M. Galperin. "Self-Consistent Quantum Master Equation Approach to Molecular Transport."J. Phys. Chem. C 114, 20362 (2010)
- M. Sukharev and M. Galperin. "Transport and optical response of molecular junctions driven by surface plasmon polaritons"Phys. Rev. B 81, 165307 (2010)
- Esposito M. and Galperin M. "Transport in molecular states language: Generalized quantum master equation approach", Phys. Rev. B 79, 205303 (2009)
- Galperin M, Ratner MA, Nitzan A, "Raman scattering from nonequilibrium molecular conduction junctions.", Nano Lett, 2009, 2, 758-62
- Galperin M, Ratner MA, Nitzan A, "Inelastic transport in the Coulomb blockade regime within a nonequilibrium atomic limit", Phys. Rev. B 78, 125320 (2008)
- Galperin M, Tretiak S, "Linear optical response of current-carrying molecular junction: a nonequilibrium Green's function-time-dependent density functional theory approach.", J Chem Phys, 2008, 12, 124705
- Galperin M, Ratner MA, Nitzan A, "Molecular transport junctions: vibrational effects." J. Phys.: Condens. Matter, (2007), 19, 103201