Search results for " electrons"
showing 10 items of 1168 documents
Visualization of Moiré Magnons in Monolayer Ferromagnet
2023
| openaire: EC/H2020/788185/EU//E-DESIGN Two-dimensional magnetic materials provide an ideal platform to explore collective many-body excitations associated with spin fluctuations. In particular, it should be feasible to explore, manipulate, and ultimately design magnonic excitations in two-dimensional van der Waals magnets in a controllable way. Here we demonstrate the emergence of moiré magnon excitations, stemming from the interplay of spin-excitations in monolayer CrBr3 and the moiré pattern arising from the lattice mismatch with the underlying substrate. The existence of moiré magnons is further confirmed via inelastic quasiparticle interference, showing the appearance of a dispersion …
Copper Induces a Core Plasmon in Intermetallic Au(144,145)–xCux(SR)60 Nanoclusters
2015
The electronic structure and optical absorption spectra of intermetallic thiol-stabilized gold-copper clusters, having 144-145 metal atoms and 60 thiols, were studied by ab initio computations. The widely known icosahedral-based cluster model from the work of Lopez-Acevedo et al. (2009) was used, and clusters doped with one to 30 copper atoms were considered. When doped inside the metal core, copper induces dramatic changes in the optical spectrum as compared to the previously studied all-gold Au144(SR)60. An intense broad absorption peak develops in the range 535-587 nm depending on the amount of doping and doping sites. This result agrees very well with recent experiments by the Dass grou…
Merging Features from Green's Functions and Time Dependent Density Functional Theory: A Route to the Description of Correlated Materials out of Equil…
2016
We propose a description of nonequilibrium systems via a simple protocol that combines exchange-correlation potentials from density functional theory with self-energies of many-body perturbation theory. The approach, aimed to avoid double counting of interactions, is tested against exact results in Hubbard-type systems, with respect to interaction strength, perturbation speed and inhomogeneity, and system dimensionality and size. In many regimes, we find significant improvement over adiabatic time dependent density functional theory or second Born nonequilibrium Green's function approximations. We briefly discuss the reasons for the residual discrepancies, and directions for future work.
Phenol compounds as new materials for Electron Spin Resonance (ESR) dosimetry in clinical photon and electron beams
2015
In the last decades several research laboratories have shown an increasing interest aimed at extending the applicability of Electron Spin Resonance (ESR) dosimetry to radiotherapy with different types of radiation beams. ESR is a spectroscopic method for investigating the structure and dynamics of such paramagnetic species. Free radicals are known to be produced when a compound is irradiated with ionizing radiations. The concentration of radiation-induced free radicals is proportional to the energy released inside in the medium and this allows for dosimetric measurements through ESR technique which able to quantitatively determine the radical concentration.The use of alanine as a dosimetric…
Azimuthal Anisotropy of Heavy-Flavor Decay Electrons in p-Pb Collisions at √sNN = 5.02 TeV
2019
Angular correlations between heavy-flavor decay electrons and charged particles at midrapidity (|η|<0.8) are measured in p-Pb collisions at √sNN=5.02 TeV. The analysis is carried out for the 0%–20% (high) and 60%–100% (low) multiplicity ranges. The jet contribution in the correlation distribution from high-multiplicity events is removed by subtracting the distribution from low-multiplicity events. An azimuthal modulation remains after removing the jet contribution, similar to previous observations in two-particle angular correlation measurements for light-flavor hadrons. A Fourier decomposition of the modulation results in a positive second-order coefficient (v2) for heavy-flavor decay ele…
Crystal field and magnetism with Wannier functions: Rare-earth doped aluminum garnets
2015
Using the recently developed method we calculate the crystal field parameters in yttrium and lutetium aluminum garnets doped with seven trivalent Kramers rare-earth ions. We then insert calculated parameters into the atomic-like Hamiltonian taking into account the electron-electron, spin-orbit and Zeeman interactions and determine the multiplet splitting by the crystal field as well as magnetic $\hat{g}$ tensors. We compare calculated results with available experimental data.
Supercurrent-induced charge-spin conversion in spin-split superconductors
2018
We study spin-polarized quasiparticle transport in a mesoscopic superconductor with a spin-splitting field in the presence of coflowing supercurrent. In such a system, the nonequilibrium state is characterized by charge, spin, energy, and spin-energy modes. Here we show that in the presence of both spin splitting and supercurrent, all these modes are mutually coupled. As a result, the supercurrent can convert charge imbalance, which in the presence of spin splitting decays on a relatively short scale, to a long-range spin accumulation decaying only via inelastic scattering. This effect enables coherent charge-spin conversion controllable by a magnetic flux, and it can be detected by studyin…
Exotic Spin-Orbital Physics in Hybrid Oxides
2016
We compare the effective spin-orbital super\-exchange triggered by magnetic $3d$ impurities with $d^3$ and $d^2$ configurations and either no orbital degree of freedom (orbital dilution) or hole replacing a doublon (charge dilution) in a $4d^4$ Mott insulator with $S=1$ spins. Impurities causing orbital dilution act either as spin defects decoupled from the surrounding ions, or generate orbital polarons along $d^3$-$d^4$ hybrid bonds. The exchange on these bonds determines which orbital is occupied by a doublon on the host site. In case of charge dilution by $3d^2$ impurities additional $\propto T_i^+T_j^+$ terms arise which enhance orbital fluctuations. We show that such terms may radicall…
Design Scheme of New Tetragonal Heusler Compounds for Spin-Transfer Torque Applications and its Experimental Realization
2012
Band Jahn-Teller type structural instabilities of cubic Mn(2)YZ Heusler compounds causing tetragonal distortions can be predicted by ab initio band-structure calculations. This allows for identification of new Heusler materials with tunable magnetic and structural properties that can satisfy the demands for spintronic applications, such as in spin-transfer torque-based devices.
Spin caloric transport from density-functional theory
2019
Spin caloric transport refers to the coupling of heat with spin transport. Its applications primarily concern the generation of spin currents and control of magnetisation by temperature gradients for information technology, known by the synonym spin caloritronics. Within the framework of ab initio theory, new tools are being developed to provide an additional understanding of these phenomena in realistic materials, accounting for the complexity of the electronic structure without adjustable parameters. Here, we review this progress, summarising the principles of the density-functional-based approaches in the field and presenting a number of application highlights. Our discussion includes th…