Related papers: Correlation between spin state and activity for hy…
We develop an effective tight-binding Hamiltonian for spin-orbit (SO) interaction in bent carbon nanotubes (CNT) for the electrons forming the $\pi$ bonds between the nearest neighbor atoms. We account for the bend of the CNT and the…
Active and reliable electrocatalysts are fundamental to renewable energy technologies. PdCoO2 has recently been recognized as a promising catalyst template for the hydrogen evolution reaction (HER) in acidic media thanks to the formation of…
Different types of order are discussed in the context of strongly correlated transition metal oxides, involving pure compounds and $3d^{3}-4d^{4}$ and $3d^{2}-4d^{4}$ hybrids. Apart from standard, long-range spin and orbital orders we…
In this manuscript the theory and phenomena associated with the Little Effect are introduced as the spin induced orbital dynamics of confined fermions under strong magnetic and thermal environments. This Little Effect is considered in…
Within the framework of an idealized theoretical model, we study the effect of external static homogeneous exchange and magnetic field on the spin part of the singlet wave function of two electrons. We begin by revising the traditional…
In this work, we systematically study the electronic structure and stability of spin states of the [Fe-(tpy-ph)$_2$]$^{2+}$ molecule in both gas phase and on a Au(111) substrate using density functional theory +U (DFT+U) calculations. We…
Spin accumulation is a crucial but imprecise concept in spintronics. In metal-based spintronics it is characterized in terms of semiclassical distribution functions. In semiconductors with a strong spin-orbit coupling the spin accumulation…
Molybdenum disulfide (MoS2) has emerged as a promising, cost-effective catalyst for hydrogen production via water splitting. We investigate the structural and electrocatalytic properties of MoS2 thin films deposited on different substrates…
We present an analytical model for the role of hydrogen bonding on the spin-orbit coupling of model DNA molecule. Here we analyze in detail the electric fields due to the polarization of the Hydrogen bond on the DNA base pairs and derive,…
We study the elementary excitations in 5d transition metal oxideSr$_2$IrO$_4$ by calculating the particle-hole Green's function within the random phase approximation on an antiferromagnetic ground state in the two-dimensional multi-orbital…
Recently, Pang et al reported a novel polarization transfer scheme applicable to three-spin systems, whereby a rotating-frame NMR analogue of the cross effect could transfer polarization between; e.g., two 13Cs and an 15N in a single…
In a magnetic multilayer, the spin transfer between localized magnetization dynamics and itinerant conduction spin arises from the interaction between a normal metal and an adjacent ferromagnetic layer. The spin-mixing conductance then…
We develop a proper nonempirical spin-density formalism for the van der Waals density functional (vdW-DF) method. We show that this generalization, termed svdW-DF, is firmly rooted in the single-particle nature of exchange and we test it on…
We perform first-principles calculations to determine the electronic, magnetic and transport properties of rare-earth dichalcogenides taking a monolayer of the H-phase EuS$_2$ as a representative. We predict that the H-phase of the EuS$_2$…
We investigate the spin and orbital correlations of a superexchange model with spin $S=1$ and orbital $L=1$ relevant for $5d^4$ transition metal Mott insulators, using exact diagonalization and density matrix renormalization group (DMRG).…
We extend our theory of electron--hole recombination in organic light emitting diodes to investigate the possibility that high energy singlet and triplet excited states with large electron--hole separations are generated in such processes,…
We show that when spin and orbital angular momenta are entangled by spin-orbit coupling, this transforms a topological spin-triplet superfluid/superconductor state, such as $^{3}$He-B, into a topological $s^{\pm}$ state, with non-trivial…
In ferromagnetic metals, an effective electromagnetic field which couples to conduction electron spin is induced by the sd exchange interaction. We investigate how this effective field, spin electromagnetic field, interacts with the…
High pressure can provoke spin transitions in transition metal-bearing compounds. These transitions are of high interest not only for fundamental physics and chemistry, but also may have important implications for geochemistry and…
Using exact diagonalization, we study the spin-orbit coupling and interaction-induced mixing between $t_{2g}$ and $e_g$ $d$-orbital states in a cubic crystalline environment, as commonly occurs in transition metal oxides. We make a direct…