We theoretically investigate the deflection-induced coupling of an electron spin to vibrational motion due to spin-orbit coupling in suspended carbon nanotube quantum dots. Our estimates indicate that, with current capabilities, a quantum dot with an odd number of electrons can serve as a realization of the Jaynes-Cummings model of quantum electrodynamics in the strong-coupling regime. A quanti...

We present an extension of the Polarizable Continuum Model (PCM) to the calculation of solvent effects on indirect spin–spin coupling constants for Hartree– Fock wave functions and Density Functional Theory. This is achieved by implementing the PCM model for singlet and triplet linear response functions. The new code is used for calculating the solvent effects on the indirect spin–spin coupling...

the optical spectrum band positions and epr parameters (g factors g//, g^ and hyperfine structure constants a// and a^) for vo2+ ions in zn(antipyrine)2(no3)2 are theoretically studied from the complete diagonalization (of energy matrix) method (cdm) and the perturbation theory method (ptm). in the two methods, the contributions from the spin–orbit (so) coupling of central 3dn ion and ligand ar...

We construct the symmetry adapted low energy effective Hamiltonian for the electronic states in the vicinity of the Fermi level in iron based superconductors. We use Luttinger’s method of invariants, expanding about Γ and M points in the Brillouin zone corresponding to two iron unit cell, and then matching the coefficients of the expansion to the 5and 8-band models. We then use the method of in...

Spin-spin coupling constants in (1)H NMR carry a wealth of structural information and offer a powerful tool for deciphering molecular structures. However, accurate ab initio or DFT calculations of spin-spin coupling constants have been very challenging and expensive. Scaling of (easy) Fermi contacts, fc, especially in the context of recent findings by Bally and Rablen (Bally, T.; Rablen, P. R. ...

Dynamic magnetoelectric coupling in the improper ferroelectric Cu1−xZnxO (x = 0, x = 0.05) was investigated using terahertz time-domain spectroscopy to probe electromagnon and magnon modes. Zinc substitution was found to reduce the antiferromagnetic ordering temperature and widen the multiferroic phase, under the dual influences of spin dilution and a reduction in unit-cell volume. The impact o...

Two-dimensional crystals stacked by van der Waals coupling, such as twisted graphene and coupled graphene-BN layers with unusual phenomena have been a focus of research recently. As a typical representative, with the modulation of structural symmetry, stacking orders and spin-orbit coupling, transitional metal dichalcogenides have shown a lot of fascinating properties. Here we reveal the effect...

The limiting case of Russell–Saunders coupling, which leads to a maximum spin alignment for the open shell electrons, usually explains the properties of high spin ionic crystals with transition metals. For actinide compounds, the spin–orbit splitting is large enough to cause a significantly reduced spin alignment. Novel concepts are used to explain the dependence of the spin alignment on the 5f...

We consider a spin-1/2 anisotropic XY model with time-dependent spin-spin coupling as means of creating long-distance entanglement. We predict the emergence of significant entanglement between the first spin and the last spin whenever the ac part of the coupling has a frequency matching the Zeeman splitting. In particular, we find that the concurrence assumes its maximum with a vanishing dc par...

Intrinsic and extrinsic spin Hall effects are considered together on an equal theoretical footing for the Rashba spin-orbit coupling in two-dimensional 2D electron and hole systems, using the diagrammatic method for calculating the spin Hall conductivity. Our analytic theory for the 2D holes shows the expected lowest-order additive result for the spin Hall conductivity. But, the 2D electrons ma...