相关论文: Correlation between spin state and activity for hy…
Nuclear spins are known to experience spontaneous long-range correlations only below 2.5 mili-Kelvin in superfluid $^3$He. Here we present the first evidence of nuclear spin coupling in molecular hydrogen (H$_2$) at 74-92 Kelvin using…
The electronic structures and thermoelectric properties of semiconducting transition-metal dichalcogenide monolayers $\mathrm{MX_2}$ (M=Zr, Hf, Mo, W and Pt; X=S, Se and Te) are investigated by combining first-principles and Boltzmann…
The effect of elastic strains on the catalytic activity for the hydrogen evolution reaction (HER) and the oxygen reduction reaction (ORR) was analyzed on thirteen late transition metals: eight (111) surfaces of fcc metals (Ni, Cu, Pd, Ag,…
Complex oxides with $4d$ and $5d$ transition-metal ions recently emerged as a new paradigm in correlated electron physics, due to the interplay between spin-orbit coupling and electron interactions. For $4d$ and $5d$ ions, the spin-orbit…
We study \textit{ab initio} a pyrochlore compound, CsW$_{2}$O$_{6}$, which exhibits a yet unexplained metal-insulator transition. We find that (1) the reported low-$T$ structure is likely inaccurate and the correct structure has a twice…
We theoretically investigate magnetic properties in the low-temperature phase with the formation of eight-site clusters, octamers, in the spinel compound CuIr$_2$S$_4$. The octamer state was considered to be a spin-singlet state induced by…
We consider a semi-classical model to describe the origin of the spin-orbit interaction in a simple system such as the hydrogen atom. The interaction energy U is calculated in the rest-frame of the nucleus, around which an electron, having…
The excitation of the spin degrees of freedom of an adsorbed atom by tunneling electrons is computed using a strong coupling theory. The excitation process is shown to be a sudden switch between the initial state determined by the…
A model of chemical bonding between ions in manganites involving covalent one-electron $\sigma$ bonding is suggested. The covalent one-electron $\sigma$ bonding gives rise to a strongly correlated state of electrons resulting from the…
The influence of spin-orbit interaction on chemical bonds in elemental solids and homonuclear dimers is analyzed by means of density-functional-theory calculations. Employing highly precise all-electron full-potential methodology, our…
We introduce and investigate an effective five-band model for $t_{2g}$ and $e_g$ electrons to describe doped cobalt oxides with Co$^{3+}$ and Co$^{4+}$ ions in two-dimensional CoO$_2$ triangular lattice layers, as in Na$_{1-x}$CoO$_2$. The…
Active matter systems are able to exhibit emergent non-equilibrium states due to activity-induced effective interactions between the active particles. Here we study the aggregation and dynamical behavior of active rotating particles,…
Artificial molecules containing just one or two electrons provide a powerful platform for studies of orbital and spin quantum dynamics in nanoscale devices. A well-known example of these dynamics is tunneling of electrons between two…
The correlation between ex situ electronic conductivity, oxygen vacancy content, flat-band potential (Efb), and the oxygen evolution reaction (OER) activity for a wide range of perovskite compositions are investigated experimentally and…
We have reported on the hysteresis and training effect of spin current in Pt/Y3Fe5O12 heterostructures during subsequent cycles of ionic liquid gate voltage Vg. The inverse spin Hall effect voltage in spin pumping and spin Hall…
Efficient spin/charge interconversion is desired to develop innovative spin-based devices. So far, the interconversion has been performed by using heavy atomic elements, strong spin-orbit interaction of which realizes the interconversion…
The concept of spin-orbital entanglement on superexchange bonds in transition metal oxides is introduced and explained on several examples. It is shown that spin-orbital entanglement in superexchange models destabilizes the long-range (spin…
We study an interplay between the orbital degeneracy and spin-orbit coupling giving rise to spin-orbital entangled states. As a specific example, we analyze the interaction of electrons occupying triply degenerate single-ion $t_{2g}$ levels…
Entanglement speeds up evolution of a pure bipartite spin state, in line with the time energy uncertainty. However if the state is mixed this is not necessarily the case. We provide a counter example and point to other factors affecting…
Facing with grave climate change and enormous energy demand, catalyzer gets more and more important due to its significant effect on reducing fossil fuels consumption. Hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) by…