相关论文: Spin Coupling Effect on Geometry-Dependent X-ray A…

In our Solar system, spin-orbit coupling is a common phenomenon in binary asteroid systems, where the mutual orbits are no longer invariant due to exchange of angular momentum between translation and rotation. In this work, dynamical…

We study orbital and spin-orbit proximity effects in graphene adsorbed to the Cu(111) surface by means of density functional theory (DFT). The proximity effects are caused mainly by the hybridization of graphene $\pi$ and copper d orbitals.…

The metallic surface states of a topological insulator support helical Dirac fermions protected by topology with their spin locked perpendicular to their momentum. They can acquire mass through magnetic doping or through hybridization of…

Understanding the physics of strongly correlated electronic systems has been a central issue in condensed matter physics for decades. In transition metal oxides, strong correlations characteristic of narrow $d$ bands is at the origin of…

Using first-principles density functional calculations, electronic and optical properties of ferromagnetic semiconductor EuO are investigated. In particular, we have developed a way to obtain the spin-dependent optical response of the…

Spin-orbit coupling is of fundamental interest in both quantum optical and condensed matter systems alike. In this work, we show that optically induced electronic excitations in lattices of V-type atoms exhibit an emergent spin-orbit…

We report density functional theory plus exact diagonalization of the multi-orbital Anderson impurity model calculations for the Co adatom on the top of Cu(001) surface. For the Co atom $d$-shell occupation $n_d \approx$ 8, a singlet…

We calculate the circular dichroism (CD) for absorption of the twisted photons, or optical vortices, by atoms, caused by atomic excitation into discrete energy levels. The effects of photon spin on the rates and cross sections of atomic…

Structure of the spin-orbit coupling varies from material to material and thus finding the correct spin-orbit coupling structure is an important step towards advanced spintronic applications. We show theoretically that the curvature in a…

We demonstrate that variations in molecular chemisorption energy on different metals, different surface terminations, and different strain conditions can be accounted for by orbital-specific changes in the substrate electronic structure.…

We investigate theoretically polygonal quantum rings and focus mostly on the triangular geometry where the corner effects are maximal. Such rings can be seen as short core-shell nanowires, a generation of semiconductor heterostructures with…

By using first principles calculations we report a chemical doping induced gap in graphene. The structural and electronic properties of CrO$_3$ interacting with graphene layer are calculated using ab initio methods based on the density…

We show that band topology can dramatically change the photophysics of two-dimensional (2D) semiconductors. For systems in which states near the band extrema are of multiple orbitals character and the spinors describing the orbital…

We propose cyclotron resonance as an optical probe for emergent fractionalized excitations in $\mathrm{U}(1)$ quantum spin liquids, focusing on kagome antiferromagnets. In contrast to conventional systems, where cyclotron resonance directly…

Optically addressable spin defects in hexagonal boron nitride hold promise for room-temperature quantum technologies, but their microscopic identities remain largely unknown. Using first principles calculations, we show that coupled spin…

X-ray photoelectron spectra provide a wealth of information on the electronic structure. The extraction of molecular details requires adequate theoretical methods, which in case of transition metal complexes has to account for effects due…

We use large-scale DFT calculations to investigate with unprecedented detail the so-called spin-orbit (SO) proximity effect in graphene adsorbed on the Pt(111) and Ni(111)/Au semi-infinite surfaces, previously studied via spin and angle…

We investigate the details of the electronic structure in the neighborhoods of a carbon atom vacancy in graphene by employing magnetization-constrained density-functional theory on periodic slabs, and spin-exact, multi-reference,…

The influence of the spin-orbit coupling (SOC) on the magnetic dipole term $T_{\alpha}$ is studied across a range of systems in order to check whether the $T_{\alpha}$ term can be eliminated from analysis of x-ray magnetic circular…

We review the theoretical description of spin-orbit scattering and electron spin resonance in carbon nanotubes. Particular emphasis is laid on the effects of electron-electron interactions. The spin-orbit coupling is derived, and the…