Related papers: Nonlocal pseudopotentials and magnetic fields
We study the homogenization of nonlocal micromagnetic functionals incorporating both symmetric and antisymmetric exchange contributions under the physical constraint that the magnetization field takes values in the unit sphere. Assuming…
The electronic conductance of a molecule making contact to electrodes is determined by the coupling of discrete molecular states to the continuum electrode density of states. Interactions between bound states and continua can be modeled…
The use of nuclear spins as physical sensing systems is disadvantaged by their low signal responsivity, particularly when compared to sensing techniques based on electron spins. This primarily results from the small nuclear gyromagnetic…
The interplay among the spectrum, geometry and magnetic field in tubular neighbourhoods of curves in Euclidean spaces is investigated in the limit when the cross section shrinks to a point. Proving a norm resolvent convergence, we derive…
Single-molecule magnets (SMMs) are promising candidates for molecular-scale data storage and processing due to their strong magnetic anisotropy and long spin relaxation times. However, as temperature rises, interactions between electronic…
In modeling low-dimensional electronic nanostructures, the evaluation of the electron-electron interaction is a challenging task. Here we present an accurate and practical density-functional approach to the two-dimensional many-electron…
A universal mechanism for strong magnetic-field effects of nonmagnetic organic semiconductors is presented. A weak magnetic field (less than hundreds mT) can substantially change the charge carrier hopping coefficient between two…
The main quasi-particle characteristics of the one-dimensional polaron are estimated within and beyond the most general Gaussian approximation at arbitrary electron-phonon coupling. We have derived explicitly the ground-state energy and the…
Using the weak field approximation, we can express the theory of general relativity in a Maxwell-type structure comparable to electromagnetism. We find that every electromagnetic field is coupled to a gravitoelectric and gravitomagnetic…
We introduce a computational scheme for calculating the electronic structure of random alloys that includes electronic correlations within the framework of the combined density functional and dynamical mean-field theory. By making use of…
We study the possible expansion of the electromagnetic field scattered by a strictly convex metallic nanoparticle with dispersive material parameters placed in a homogeneous medium in a low-frequency regime as a sum of modes oscillating at…
We derive an explicit form for the electronic friction as felt by a molecule near a metal surface for the general case that molecule-metal couplings depend on nuclear coordinates. Our work generalizes a previous study by von Oppen et al…
The author suggests an approach based on the separation of total energy of multielectron systems into the semi-classical Coulomb part and the non-classical additional part. This approach allows on the one hand to simplify calculations and…
Laser produced high-energy-density plasmas may contain strong magnetic fields that affect the energy transport, which can be nonlocal. Models which describe the magnetized nonlocal transport are formally complicated and based on many…
This review presents a concise, yet comprehensive discussion on the evolution of theoretical methods employed to determine the ground and excited states of molecules in weak and strong magnetic fields. The weak-field cases have been studied…
A theory for the ab initio calculation of all-electron NMR chemical shifts in insulators using pseudopotentials is presented. It is formulated for both finite and infinitely periodic systems and is based on an extension to the Projector…
The properties of mobile impurities in quantum magnets are fundamental for our understanding of strongly correlated materials and may play a key role in the physics of high-temperature superconductivity. Hereby, the motion of hole-like…
I shortly describe semi-classical models of spinning electron and list a number of theoretical issues where these models turn out to be useful, see arXiv:1710.07135 for details. Then I discuss the possibility to extend the range of…
Solid state theory, density functional theory and its generalizations for correlated systems together with numerical simulations on supercomputers allow nowadays to model magnetic systems realistically and in detail and can be even used to…
We formulate a quantitative theory of non-local electron transport in three-terminal disordered ferromagnet-superconductor-ferromagnet structures. We demonstrate that magnetic effects have different implications: While strong exchange field…