Related papers: Spin-Crossover From a Well-Behaved, Low-Cost meta-…
Accurate prediction of spin-state energy difference is crucial for understanding the spin crossover (SCO) phenomena and is very challenging for the density functional approximations, especially for the local and semi-local approximations,…
The negative correlation energy per particle of a uniform electron gas of density parameter $r_s$ and spin polarization $\zeta$ is well known, but its spin resolution into up-down, up-up, and down-down contributions is not. Widely-used…
We report on the optical manipulation of the electron spin relaxation time in a GaAs based heterostructure. Experimental and theoretical study shows that the average electron spin relaxes through hyperfine interaction with the lattice…
The random antiferromagnetic spin-1/2 XX and XXZ chain is studied numerically for varying strength of the disorder, using exact diagonalization and stochastic series expansion methods. The spin-spin correlation function as well as the…
We will discuss recent results for the spin structure functions, with an emphasis on g2 . High precision g2 data allows for tests of the Burkhardt-Cottingham sum rule, and is needed to consistently evaluate higher twist effects.
Quantum rings can be characterized by a specific radius and ring width. For this rich class of physical systems, an accurate approximation for the exchange-hole potential and thus for the exchange energy is derived from first principles.…
We present a generalized extension of the recently developed electron/hole-transfer Dynamically-weighted State-Averaged Constrained CASSCF (eDSC/hDSC) method to model charge transfer in the presence of spin-orbit coupling (SOC) for systems…
We consider the spin-exchange (SE) cross section in electron scattering from $^3$He\,{\scriptsize II}, which drives the hyperfine-changing \hbox{3.46 cm} (8.665 GHz) line transition. Both the analytical quantum defect method --- applicable…
By successive oxygen treatments of graphene non-local spin-valve devices we achieve a gradual increase of the contact resistance area products ($R_cA$) of Co/MgO spin injection and detection electrodes and a transition from linear to…
Recent developments in attosecond spectroscopy yield access to the correlated motion of electrons on their intrinsic time scales. Spin-flip dynamics is usually considered in the context of valence electronic states, where spin-orbit…
The performance of correlated optimized effective potential (OEP) functionals based on the spin-resolved second-order correlation energy is analyzed. The relative importance of singly- and doubly- excited contributions as well as the effect…
Whole-Slide Imaging allows for the capturing and digitization of high-resolution images of histological specimen. An automated analysis of such images using deep learning models is therefore of high demand. The transformer architecture has…
We study the switching behavior of two spin-crossover molecules residing in a nanojunction device consisting of two closely spaced gold electrodes. The spin states are monitored through a real-time measurement of the resistance of the…
Spin-based quantum computing and magnetic resonance techniques rely on the ability to measure the coherence time, T2, of a spin system. We report on the experimental implementation of all-optical spin echo to determine the T2 time of a…
Semilocal density functionals for the exchange-correlation energy are needed for large electronic systems. The Tao-Perdew-Staroverov-Scuseria (TPSS) meta-generalized gradient approximation (meta-GGA) is semilocal and usefully accurate, but…
Spin injection efficiency based on conventional and/or half-metallic ferromagnet/semiconductor is greatly limited by the Schmidt obstacle due to conductivity mismatch, here we proposed that by replacing the metallic injectors with spin…
Coupling graphene's excellent electron and spin transport properties with higher spin-orbit coupling material allows tackling the hurdle of spin manipulation in graphene, due to the proximity to van-der-Waals layers. Here we use magneto…
Density Functional Theory (DFT) underpins much of modern computational chemistry and materials science. Yet, the reliability of DFT-derived predictions of experimentally measurable properties remains fundamentally limited by the need to…
Spin-flip rates in GaAs quantum dots can be quite slow, thus opening up the possibilities to manipulate spin states in the dots. We present here estimations of inelastic spin-flip rates mediated by hyperfine interaction with nuclei. Under…
We investigate fundamental properties of meta-generalized-gradient approximations (meta-GGAs) to the exchange-correlation energy functional, which have an implicit density dependence via the Kohn-Sham kinetic-energy density. To this…