Approximating quantum thermodynamic properties using DFT.

The fabrication, utilisation, and efficiency of quantum technology devices rely on a good understanding of quantum thermodynamic properties. Many-body systems are often used as hardware for these quantum devices, but interactions between particles make the complexity of related calculations grow exponentially with the system size. Here we explore and systematically compare 'simple' and 'hybrid' approximations to the average work and entropy variation built on static density functional theory concepts. These approximations are computationally cheap and could be applied to large systems. We exemplify them considering driven one-dimensional Hubbard chains and show that, for 'simple' approximations and low to medium temperatures, it pays to consider a good estimate of the Kohn-Sham Hamiltonian to approximate the driving Hamiltonian. Our results confirm that a 'hybrid' approach, requiring a very good approximation of the initial and, for the entropy, final states of the system, provides great improvements. This approach should be particularly efficient when many-body effects are not increased by the driving Hamiltonian.

Spin-Orbit Twisted Spin Waves: Group Velocity Control.

We present a theoretical and experimental study of the interplay between spin-orbit coupling (SOC), Coulomb interaction, and motion of conduction electrons in a magnetized two-dimensional electron gas. Via a transformation of the many-body Hamiltonian we introduce the concept of spin-orbit twisted spin waves, whose energy dispersions and damping rates are obtained by a simple wave-vector shift of the spin waves without SOC. These theoretical predictions are validated by Raman scattering measurements. With optical gating of the density, we vary the strength of the SOC to alter the group velocity of the spin wave. The findings presented here differ from that of spin systems subject to the Dzyaloshinskii-Moriya interaction. Our results pave the way for novel applications in spin-wave routing devices and for the realization of lenses for spin waves.

Model of spin accumulation and spin torque in spatially varying magnetisation structures: limitations of the micromagnetic approach.

We study the spin-transfer torque acting on the magnetisation when injecting polarised conduction electrons into a magnetic system. The spin accumulation is calculated self-consistently and naturally includes the adiabatic and non-adiabatic contributions which depend on the rate of change of magnetisation in relation to the spin diffusion length. As an example we consider a system where a spin-polarised current is injected into a structure containing a domain wall. We calculate the spin torque and related parameters corresponding to the adiabatic and non-adiabatic terms directly from the spin accumulation, and find that the dynamic micromagnetic approach based on adiabatic and non-adiabatic terms with constant coefficients is valid only for systems with slowly spatially varying magnetisation.

Giant collective spin-orbit field in a quantum well: fine structure of spin plasmons.

We employ inelastic light scattering with magnetic fields to study intersubband spin plasmons in a quantum well. We demonstrate the existence of a giant collective spin-orbit (SO) field that splits the spin-plasmon spectrum into a triplet. The effect is remarkable as each individual electron would be expected to precess in its own momentum-dependent SO field, leading to D'yakonov-Perel' dephasing. Instead, many-body effects lead to a striking organization of the SO fields at the collective level. The macroscopic spin moment is quantized by a uniform collective SO field, five times higher than the individual SO field. We provide a momentum-space cartography of this field.

Quantum mechanics in metric space: wave functions and their densities.

Hilbert space combines the properties of two different types of mathematical spaces: vector space and metric space. While the vector-space aspects are widely used, the metric-space aspects are much less exploited. Here we show that a suitable metric stratifies Fock space into concentric spheres on which maximum and minimum distances between states can be defined and geometrically interpreted. Unlike the usual Hilbert-space analysis, our results apply also to the reduced space of only ground states and to that of particle densities, which are metric, but not Hilbert, spaces. The Hohenberg-Kohn mapping between densities and ground states, which is highly complex and nonlocal in coordinate description, is found, for three different model systems, to be simple in metric space, where it becomes a monotonic and nearly linear mapping of vicinities onto vicinities.

NMR metabolic profiling of organic and aqueous sea bass extracts: implications in the discrimination of wild and cultured sea bass.

The nuclear magnetic resonance (NMR) technique was used as analytical tool to determine the complete metabolic profiling of sea bass extracts: water-soluble metabolites belonging to different classes such as sugars, amino acids, dipeptides and organic acids as well as metabolites soluble in organic solvent such as lipids, sterols and fatty acids were identified. The metabolite profiling together with a suitable statistical analysis were used to discriminate between wild and cultured sea bass samples. Preliminary results show that discrimination between wild and cultured sea bass was obtained not only using fatty acid composition but also cholesterol and phosphatidylethanolamine and some water-soluble metabolites such as choline, trimethylamine oxide, glutamine, fumaric and malic acids.

Effect of geometrical confinement on the interaction between charged colloidal suspensions.

The effective interaction between charged colloidal particles confined between two planar like-charged walls is investigated using computer simulations of the primitive model describing asymmetric electrolytes. In detail, we calculate the effective force acting onto a single macroion and onto a macroion pair in the presence of slitlike confinement. For moderate Coulomb coupling, we find that this force is repulsive. Under strong-coupling conditions, however, the sign of the force depends on the distance to the plates and on the interparticle distance. In particular, the particle-plate interaction becomes strongly attractive for small distances which may explain the occurrence of colloidal crystalline layers near the plates observed in recent experiments.