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We investigate the nuclear dynamics near a real-valued conical intersection that is perturbed by a complex-valued spin-orbit coupling. For a model Hamiltonian with two outgoing channels, we find that even a small spin-orbit coupling can…

Chemical Physics · Physics 2020-08-07 Yanze Wu , Joseph E. Subotnik

Within the context of very simple avoided crossing, we investigate the investigate the effect of a complex diabatic coupling in determining spin-dependent rate constants and scattering states. We find that, if the molecular geometry is not…

Chemical Physics · Physics 2021-01-27 Yanze Wu , Gaohan Miao , Joseph Subotnik

The spin-dependent Berry force is a genuine effect of Berry curvature in molecular dynamics, which can dramatically result in spatial spin separation and change of reaction pathways. However, the way to probe the effect of Berry force…

Atomic Physics · Physics 2023-07-14 Ming Zhang , Xiaoyu Mi , Linfeng Zhang , Chengyin Wu , Zheng Li

We investigate a spin-boson inspired model of electron transfer, where the diabatic coupling is given by a position-dependent phase, exp(iWx). We consider both equilibrium and nonequilibrium initial conditions. We show that, for this model,…

Chemical Physics · Physics 2022-08-30 Suraj Chandran , Yanze Wu , Hung-Hsuan Teh , David H. Waldeck , Joseph E. Subotnik

A valley-contrasting Berry curvature in bilayer transition metal dichalcogenides with spin-orbit coupling can generate valley magnetization when the inversion symmetry is broken, for example, by an electric field, regardless of…

Mesoscale and Nanoscale Physics · Physics 2021-01-12 Vassilios Vargiamidis , P. Vasilopoulos , M. Tahir , Neophytos Neophytou

The behavior of strongly interacting electrons in bands with Berry curvature is a problem of wide interest. In this paper, we study this problem by numerically studying a fluxed Hubbard-type model on square lattice. Using this model, we…

Strongly Correlated Electrons · Physics 2025-03-04 Shuai Yang , Zhiyu Dong , Yan Chen

We analytically calculate the electronic friction tensor for a molecule near a metal surface in the case that the electronic Hamiltonian is complex-valued, e.g. the case that there is spin-orbit coupling and/or an external magnetic field.…

Materials Science · Physics 2021-11-29 Hung-Hsuan Teh , Wenjie Dou , Joseph E. Subotnik

The connection between molecular vibrations and spin polarization in charge transport through molecular junctions is currently a topic of high interest, with important consequences for a variety of phenomena, such as chirality-induced spin…

Mesoscale and Nanoscale Physics · Physics 2025-03-13 Samuel L. Rudge , Christoph Kaspar , Rudolf Smorka , Riley J. Preston , Joseph Subotnik , Michael Thoss

Analytical calculations and micromagnetic simulations are used to determine the Berry curvature and topological Hall effect (THE) due to conduction electrons in small ferromagnetic particles. Our focus is on small particles of…

The Berry connection and curvature are key components of electronic structure calculations for atoms and molecules in magnetic fields. They ensure the correct translational behavior of the effective nuclear Hamiltonian and the correct…

Chemical Physics · Physics 2022-10-19 Laurens D. M. Peters , Tanner Culpitt , Erik I. Tellgren , Trygve Helgaker

We consider a system with spin-orbit coupling and derive equations of motion which include the effects of Berry curvatures. We apply these equations to investigate the dynamics of particles with equal Rashba-Dresselhaus spin-orbit coupling…

Quantum Gases · Physics 2017-04-19 J. Armaitis , J. Ruseckas , E. Anisimovas

The dynamics of a molecule in a magnetic field is significantly different form its zero-field counterpart. One important difference in the presence of a field is the Lorentz force acting on the nuclei, which can be decomposed as the sum of…

Chemical Physics · Physics 2021-07-28 Tanner Culpitt , Laurens D. M. Peters , Erik I. Tellgren , Trygve Helgaker

The feedback of the geometrical Berry phase, accumulated in an electron system, on the slow dynamics of classical degrees of freedom is governed by the Berry curvature. Here, we study local magnetic moments, modelled as classical spins,…

Mesoscale and Nanoscale Physics · Physics 2022-12-29 Simon Michel , Michael Potthoff

We devise an approach to measure the polarization of nuclear spins via conductance measurements. Specifically, we study the combined effect of external magnetic field, nuclear spin polarization, and Rashba spin-orbit interaction on the…

Mesoscale and Nanoscale Physics · Physics 2010-10-12 James A. Nesteroff , Yuriy V. Pershin , Vladimir Privman

The Berry curvature is essential in Born$-$Oppenheimer molecular dynamics, describing the screening of the nuclei by the electrons in a magnetic field. Parts of the Berry curvature can be understood as the external magnetic field multiplied…

Chemical Physics · Physics 2022-11-15 Laurens D. M. Peters , Tanner Culpitt , Erik I. Tellgren , Trygve Helgaker

We experimentally observe the quantum geometric tensor, namely the quantum metric and the Berry curvature, for a square lattice of radiatively coupled plasmonic nanoparticles. We observe a non-zero Berry curvature and show that it arises…

By quantizing the semiclassical motion of excitons, we show that the Berry curvature can cause an energy splitting between exciton states with opposite angular momentum. This splitting is determined by the Berry curvature flux through the…

Mesoscale and Nanoscale Physics · Physics 2015-12-08 Jianhui Zhou , Wen-Yu Shan , Wang Yao , Di Xiao

We have found a manifestation of spin-orbit Berry phase in the conductance of a mesoscopic loop with Rashba spin-orbit coupling placed in an external magnetic field perpendicular to the loop plane. In detail, the transmission probabilities…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Maxim P. Trushin , Alexander L. Chudnovskiy

For a long period of time, we have been seeking how Berry curvature influnces the transport properties in materials breaking time-reversal symmetry. In time-reversal symmetric material, there will be no thermoelectric current induced by…

Mesoscale and Nanoscale Physics · Physics 2020-12-15 Hongchao Li

We study the magnetoelectric and magnetothermal transport properties of noncentrosymmetric metals using semiclassical Boltzmann transport formalism by incorporating the effects of Berry curvature and orbital magnetic moment. These effects…

Mesoscale and Nanoscale Physics · Physics 2021-11-03 Ojasvi Pal , Bashab Dey , Tarun Kanti Ghosh
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