相关论文: Active-Spin-State-Derived Descriptor for Hydrogen …
Although developing artificial enzymes has made great progress, there is still a gap between artificial enzymes and natural enzymes in catalytic performance. Designing and constructing efficient artificial biocatalysts is extremely…
We investigate the dynamically polarized nuclear-spin system in Fe/\emph{n}-GaAs heterostructures using the response of the electron-spin system to nuclear magnetic resonance (NMR) in lateral spin-valve devices. The hyperfine interaction is…
Soft diffraction phenomena in elastic nucleon scattering are considered from the viewpoint of the spin dependence of the interaction potential. Spin-dependent pomeron effects are analyzed for elastic $pp$ scattering, spin-dependent…
Symbolic regression (SR) is an emerging method for building analytical formulas to find models that best fit data sets. Here, SR was used to guide the design of new oxide perovskite catalysts with improved oxygen evolution reaction (OER)…
Dynamic spin susceptibility is calculated for the t-J model in the paramagnetic phase by applying the memory function method in terms of the Hubbard operators. A self-consistent system of equations for the memory function is obtained within…
In order to understand the dynamics of active matter, we examine a minimalistic model where interacting spins on a one-dimensional lattice are driven by a self-propelled spin at the centre with a fixed rotational velocity $({\omega}_{0})$.…
Hydrogen, crucial for the green energy transition, poses a challenge due to its tendency to degrade surrounding wall materials. To harness hydrogen's potential, it is essential to identify materials' parameter(s) that modulate…
We study a system of interacting triplons (the elementary excitations of a valence-bond solid) described by an effective interacting boson model derived within the bond-operator formalism. In particular, we consider the square lattice…
To satisfy rising energy needs and to handle the forthcoming worldwide climate transformation, major research attention has been drawn to environmentally friendly, renewable, and abundant energy resources. Hydrogen plays an ideal and…
We studied the spin dynamics of a Cr atom incorporated in a II-VI semiconductor quantum dot using photon correlation techniques. We used recently developed singly Cr-doped CdTe/ZnTe quantum dots (A. Lafuente-Sampietro {\it et al.}, [1]) to…
We use an exact numerical diagonalization method to calculate the dynamical spin structure factors (DSFs) of three ab-initio models and one ab-initio-guided model for a honeycomb-lattice magnet $\alpha$-RuCl$_3$. We also use thermal pure…
We report on magnetization and electron spin resonance (ESR) measurements of Sr$_{2}$VO$_4$ with orthorhombic symmetry. In this dimer system the $V^{4+}$ ions are in tetrahedral environment and are coupled by an antiferromagnetic…
Exact density functionals for the exchange and correlation energies are approximated in practical calculations for the ground-state electronic structure of a many-electron system. An important exact constraint for the construction of…
We used modified Arrhenius approximations to analyze the known temperature dependences (TDs) of water microstructure parameters and its dynamic characteristics. The analysis of activation energies showed a significant difference in the…
The entanglement of two qubits, each defined as an effective two-level, spin 1/2 system, is investigated for the case that the qubits interact via a Heisenberg XY interaction and are subject to decoherence due to population relaxation and…
We present a spin-dependent localized Hartree-Fock (SLHF) density-functional approach for the treatment of the inner-shell excited-state calculation of atomic systems. In this approach, the electron spin-orbitals in an electronic…
We present low-temperature dynamic properties of the quantum two-dimensional antiferromagnetic Heisenberg model with spin S=1/2. The calculation of the dynamic correlation function is performed by combining a projection operator formalism…
We consider the transverse Ising model in one dimension with nearest-neighbour interaction and calculate exactly the longitudinal spin-spin correlation for a class of excited states. These states are known to play an important role in the…
Temperature-dependent dynamical spin correlations, which can be readily accessed via a variety of experimental techniques, hold the potential of offering a unique fingerprint of quantum spin liquids and other intriguing dynamical states. In…
We derive from first principles the existence of a low-frequency plasmon in a strongly coupled three-dimensional homogeneous electron gas (HEG). From its dispersion and its satisfaction of the 3rd frequency sum rule we identify it with the…