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Quantum transport through single molecules is essentially affected by molecular vibrations. We investigate the behavior of the prototype single-level model with intermediate electron-vibron coupling and arbitrary coupling to the leads. We…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Dmitry A. Ryndyk , Gianaurelio Cuniberti

Spin-flips are one of the limiting factors for spin-based information processing. We demonstrate a transport approach for determining the spin-flip rates of a self-assembled InAs double quantum dot occupied by a single electron. In such…

Mesoscale and Nanoscale Physics · Physics 2024-03-18 Olfa Dani , Robert Hussein , Johannes C. Bayer , Klaus Pierz , Sigmund Kohler , Rolf J. Haug

Based on density functional theory (DFT), we have developed algorithms and a program code to investigate the electron transport characteristics for a variety of nanometer scaled devices in the presence of an external bias voltage. We…

Mesoscale and Nanoscale Physics · Physics 2008-05-14 Woo Youn Kim , Kwang S. Kim

We study the spin-dependent transport through a quantum dot coupled to two ferromagnetic electrodes using the equation of motion method for the nonequilibrium Green's functions. Our results show that the conductance and the density of…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Huanwen Lai , Xuean Zhao , Zhu-An Xu , You-Quan Li

{\it Ab initio} computational methods for electronic transport in nanoscaled systems are an invaluable tool for the design of quantum devices. We have developed a flexible and efficient algorithm for evaluating $I$-$V$ characteristics of…

Mesoscale and Nanoscale Physics · Physics 2016-08-16 A. R. Rocha , V. M. García-Suárez , S. Bailey , C. Lambert , J. Ferrer , S. Sanvito

We apply the Wigner function formalism to derive drift-diffusion transport equations for spin-polarized electrons in a III-V semiconductor single quantum well. Electron spin dynamics is controlled by the linear in momentum spin-orbit…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Semion Saikin

We present an ab initio inelastic quantum transport approach based on maximally localized Wannier functions. Electronic-structure properties are calculated with density-functional theory in a planewave basis, and electron-vibration coupling…

Mesoscale and Nanoscale Physics · Physics 2013-06-12 Sejoong Kim , Nicola Marzari

Spin-flip inelastic electron tunneling spectroscopy allows magnetic materials to be probed at the single-atom level via scanning tunneling microscopy. Previously, the local spectral weight of spin excitations of small systems has been…

Strongly Correlated Electrons · Physics 2025-07-29 Finnian Rist , Henry L. Nourse , Ben J. Powell

The inelastic scanning tunneling microscopy (STM) has been shown recently (Loth et al. Science 329, 1628 (2010)) to be extendable as to access the nanosecond, spin-resolved dynamics of magnetic adatoms and molecules. Here we analyze…

Atomic and Molecular Clusters · Physics 2015-06-04 Michael Schüler , Yaroslav Pavlyukh , Jamal Berakdar

Electronic transport through a single-molecule magnet Mn$_{12}$ in a two-terminal set up is calculated using the non-equilibrium Green's function method in conjunction with density-functional theory. A single-molecule magnet Mn$_{12}$ is…

Materials Science · Physics 2010-01-28 Salvador Barraza-Lopez , Kyungwha Park , Víctor García-Suárez , Jaime Ferrer

Spectroscopic measurements with low-temperature scanning tunneling microscopes have been used very successfully for studying not only individual atomic or molecular spins on surfaces but also complexly designed coupled systems. The symmetry…

Mesoscale and Nanoscale Physics · Physics 2017-03-28 Markus Ternes

We study spin effects in the magneto-conductance of ballistic mesoscopic systems subject to inhomogeneous magnetic fields. We present a numerical approach to the spin-dependent Landauer conductance which generalizes recursive Green function…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Diego Frustaglia , Martina Hentschel , Klaus Richter

The effect of spin-disorder scattering on perpendicular transport in a magnetic monolayer is considered within the single-site Coherent Potential Approximation (CPA). The exchange interaction between a conduction electron and localized…

Disordered Systems and Neural Networks · Physics 2009-11-07 Alireza Saffarzadeh

The electron transport in a 1D conductor with an isolated local defect such as an impurity or a non-adiabatic contact is studied theoretically. New regime of conduction in correlated 1D systems is predicted beyond the well-known regime of…

Strongly Correlated Electrons · Physics 2015-10-01 S. N. Artemenko , P. P. Aseev , D. S. Shapiro , R. R. Vakhitov

We study time-dependent electronic and spin transport through an electronic level connected to two leads and coupled with a single-molecule magnet via exchange interaction. The molecular spin is treated as a classical variable and precesses…

Mesoscale and Nanoscale Physics · Physics 2013-07-24 Milena Filipovic , Cecilia Holmqvist , Federica Haupt , Wolfgang Belzig

A simple double-decker molecule with magnetic anisotropy, nickelocene, is attached to the metallic tip of a low-temperature scanning tunneling microscope. In the presence of a Cu(100) surface, the conductance around the Fermi energy is…

Strongly Correlated Electrons · Physics 2017-05-18 M. Ormaza , P. Abufager , B. Verlhac , N. Bachellier , M. -L. Bocquet , N. Lorente , L. Limot

Ferromagnetic single electron transistors with Al islands and orthogonal ferromagnetic leads (Co) are fabricated using ebeam lithography followed by shadow evaporation techniques. I-V characteristics exhibit typical single electron…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Dawei Wang , Jia G. Lu

Molecular systems can exhibit a complex, chemically tailorable inner structure which allows for targeting of specific mechanical, electronic and optical properties. At the single-molecule level, two major complementary ways to explore these…

Mesoscale and Nanoscale Physics · Physics 2017-04-05 Rocco Gaudenzi , Maciej Misiorny , Enrique Burzurí , Maarten R. Wegewijs , Herre S. J. van der Zant

We present a theory of tunneling and resonant transitions in one-dimensional molecular systems which is based on Green's function theory of electron sub-barrier scattering off the structural units (or functional groups) of a molecular…

Other Condensed Matter · Physics 2007-05-23 I. I. Oleynik , M. A. Kozhushner , V. S. Posvyanskii

The inelastic portion of the tunnel current through an individual magnetic atom grants unique access to read out and change the atom's spin state, but it also provides a path for spontaneous relaxation and decoherence. Controlled closure of…

Mesoscale and Nanoscale Physics · Physics 2016-01-05 B. Bryant , R. Toskovic , A. Ferrón , J. L. Lado , A. Spinelli , J. Fernández-Rossier , A. F. Otte