Related papers: Correlation between spin state and activity for hy…
Hydrogen activation is a key elementary step in catalytic hydrogenation. In heterogeneous catalysis, it usually proceeds through dissociative adsorption on metal nanoparticles followed by surface diffusion or spillover, whereas homogeneous…
Transition metal compounds with the $(t_{2g})^4$ electronic configuration are expected to be nonmagnetic atomic singlets both in the weakly interacting regime due to spin-orbit coupling, as well as in the Coulomb dominated regime with…
We discuss phenomena arising from the combined influence of electron correlation and spin-orbit coupling, with an emphasis on emergent quantum phases and transitions in heavy transition metal compounds with 4d and 5d elements. A common…
Two-dimensional (2D) materials have gained lots of attention due to the potential applications. In this work, we propose that based on first-principles calculations, the (2$\times$2) patterned PtTe$_2$ monolayer with kagome lattice formed…
Liquid He-4 is free from magnetic defects, making it an ideal substrate for electrons with long-lived spin states. Such states can serve as qubit states. Here we consider the spin states of electrons electrostatically localized in quantum…
The development of noble-metal free electrocatalysts is of high importance for clean energy conversion applications. MoS$_2$ has been considered as a promising low cost catalyst for the hydrogen evolution reaction (HER), however its…
Monolayer PtSe$_2$ is a semiconducting transition metal dichalcogenide characterized by an indirect band gap, space inversion symmetry, and high carrier mobility. Strong intrinsic spin-orbit coupling and the possibility to induce extrinsic…
Electron correlation strength is predicted to be weak in 5d transition metal oxides and hence, various anomalous electronic properties observed in these systems are often attributed to the large spin-orbit interaction strength. Employing…
For an electron spin in coupling with an interacting spin chain via hyperfine-type interaction, we investigate the dynamical evolutions of the pairwise entanglement of the spin chain and a correlation function joined the electron spin with…
The equations of perfect spin hydrodynamics are solved for the first time using a realistic (3+1)-dimensional hydrodynamic background, calibrated to reproduce a comprehensive set of hadronic observables, including rapidity distributions,…
The ability to efficiently evolve hydrogen via electrocatalysis at low overpotentials holds tremendous promise for clean energy. Hydrogen evolution reaction (HER) can be easily achieved from water if a voltage above the thermodynamic…
The hydrogen evolution reaction (HER) in alkaline media suffers from sluggish kinetics but the origin of the pH-dependent activity remains debated. This study investigates the role of hydroxide ions (OH) in enhancing the alkaline HER at…
An ab initio study of the electronic and spin configuration for the iron ion in the active center of the human hemoglobin molecule is presented. It is well known that the iron ion, being surrounded by the porphyrin ring and the ligands,…
The magnetic spin dynamics and optical properties of EuZn$_2$P$_2$ are studied. Single crystals grown by the Sn-flux method crystallize in the $P\overline{3}m1$ (No.~164) space group and order antiferromagnetically at $T_N=23.5$~K.…
The entanglement of the spin and orbital degrees of freedom through the spin-orbit coupling has been actively studied in condensed matter physics. In several iridium-oxide systems, the spin-orbital entangled state, identified by the…
Recent investigations suggest that both spin-orbit coupling and electron correlation play very crucial roles in the $5d$ transition metal oxides. By using the generalized Gutzwiller variational method and dynamical mean-field theory with…
The half-filled $t_{2g}$ shell of the $t_{2g}^3$ configuration usually, in LS coupling, hosts a S = 3/2 ground state with quenched orbital moment. This state is not Jahn-Teller active. Sufficiently large spin-orbit coupling $\zeta$ has been…
Spin-orbit (SO) interaction critically influences electron spin dynamics and spin transport in bulk semiconductors and semiconductor microstructures. This interaction couples electron spin to dc and ac electric fields. Spin coupling to ac…
Manipulation of spin states at the single-atom scale underlies spin-based quantum information processing and spintronic devices. Such applications require protection of the spin states against quantum decoherence due to interactions with…
In recent years, orbitronic effects have attracted growing attention as complementary counterparts to the well-established spintronic phenomena. In this work, we demonstrate that monolayers of transition metal dichalcogenides provide an…