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This paper represents one contribution to a larger Roadmap article reviewing the current status of the FHI-aims code. In this contribution, the implementation of polarization, Born-effective charges and topological invariants using a…

We study spin-polarized transient transport in a quantum dot coupled to two ferromagnetic leads subjected to a rectangular bias voltage pulse. Time-dependent spin-resolved currents, occupations, spin accumulation, and tunneling…

Mesoscale and Nanoscale Physics · Physics 2011-11-09 F. M. Souza , S. A. Leao , R. M. Gester , A. P. Jauho

We study resonant tunneling through a periodic square array of quantum dots sandwiched between modulation-doped quantum wells. If a magnetic field is applied parallel to the quantum dot plane, the tunneling current exhibits a highly complex…

Mesoscale and Nanoscale Physics · Physics 2019-04-15 L. S. Petrosyan , T. V. Shahbazyan

We provide a unified semiclassical theory for thermoelectric responses of any observable represented by an operator $\hat{\boldsymbol{\theta}}$ that is well-defined in periodic crystals. The Einstein and Mott relations are established…

Mesoscale and Nanoscale Physics · Physics 2020-02-14 Liang Dong , Cong Xiao , Bangguo Xiong , Qian Niu

This work brings forward an alternative experimental approach to infer the topological character of phase transitions in insulators. This method relies on subjecting the target system to a set of external fields, each of which consists of…

Mesoscale and Nanoscale Physics · Physics 2021-12-08 Panagiotis Kotetes

We report on possibility of charge current generation in nanowire made of two tunnel coupled one-dimensional electron waveguides by means of single magnetic pulse lasting up to 20 ps. Existence of interlayer tunnel coupling plays a crucial…

Mesoscale and Nanoscale Physics · Physics 2017-09-13 T. Chwiej

We analytically investigate a non-equilibrium quantum pumping for a single quantum dot connected to external leads on the basis of the quantum master equation (QME). We show that the Coulomb interaction associated with the spin effect in…

Mesoscale and Nanoscale Physics · Physics 2013-12-16 Ryosuke Yoshii , Hisao Hayakawa

Topological effects arising from the Berry curvature lead to intriguing transport signatures in quantum materials. Two such phenomena are the chiral anomaly and nonlinear Hall effect (NLHE). A unified description of these transport regimes…

Materials Science · Physics 2026-03-25 Dhruv C. Desai , Lauren A. Tan , Jin-Jian Zhou , Shiyu Peng , Jinsoo Park , Marco Bernardi

For the description of the transport of electrons across a quantum dot, which is tunnel coupled to leads at different chemical potentials, it is usual to assume that the total Hamiltonian of the composite system of the leads and the quantum…

Strongly Correlated Electrons · Physics 2013-03-08 Johannes Kern

An accurate description of electron transport at a molecular level requires a precise treatment of quantum effects. These effects play a crucial role in determining the electron transport properties of single molecules, such as…

Quantum Physics · Physics 2020-12-18 Soran Jahangiri , Juan Miguel Arrazola , Alain Delgado

We study spin-rotation effects in a magnetic molecule bridged between two conducting leads. Dynamics of the total angular momentum couples spin tunneling to the mechanical rotations. Landau-Zener spin transition produced by the…

Mesoscale and Nanoscale Physics · Physics 2010-01-21 Reem Jaafar , Eugene M. Chudnovsky , Dmitry A. Garanin

We discuss characterization of the polarization for insulators under the periodic boundary condition in terms of the Berry phase, clarifying confusing subtleties. For band insulators, the Berry phase can be formulated in terms of the Bloch…

Strongly Correlated Electrons · Physics 2019-02-26 Haruki Watanabe , Masaki Oshikawa

Single-molecule transistors provide a unique experimental tool to investigate the coupling between charge transport and the molecular degrees of freedom in individual molecules. One interesting class of molecules for such experiments are…

The effect of inter-subsystem couplings on the Berry phase of a composite system as well as that of its subsystem is investigated in this paper. We analyze two coupled spin-$\frac 1 2 $ particles with one driven by a quantized field as an…

Quantum Physics · Physics 2009-11-10 L. C. Wang , H. T. Cui , X. X. Yi

Linear conductance through a quantum dot is calculated under a finite magnetic field using the modified perturbation theory. The method is based on the second-order perturbation theory with respect to the Coulomb repulsion, but the…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Osamu Takagi , Tetsuro Saso

The detailed theoretical understanding of quantum spin dynamics in various molecular magnets is an important step on the roadway to technological applications of these systems. Quantum effects in both ferromagnetic and antiferromagnetic…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Michael N. Leuenberger , Florian Meier , Daniel Loss

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 theoretical model of transmission and reflection of an electron with spin is proposed for a mesoscopic ring with rotating localized magnetic moment. This model may be realized in a pair of domain walls connecting two ferromagnetic domains…

Mesoscale and Nanoscale Physics · Physics 2022-04-20 Maseim B. Kenmoe , Yosuke Kayanuma

We investigate multi-terminal quantum transport through single monocyclic aromatic annulene molecules, and their derivatives, using the nonequilibrium Green function approach in the self-consistent Hartree-Fock approximation. A new device…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 D. M. Cardamone , C. A. Stafford , S. Mazumdar

The Berry phase is a geometric phase acquired during adiabatic evolution over a closed loop in parameter space. It plays an essential role in geometric quantum gates and other phase-based protocols. In non-Hermitian systems, the Berry phase…

Quantum Physics · Physics 2026-05-19 Pratik J. Barge , Qian Cao , Niklas Hörnedal , Aurélia Chenu , Kater W. Murch