Search results for "MT"
showing 10 items of 2759 documents
Inelastic neutron scattering due to acoustic vibrations confined in nanoparticles: theory and experiment
2008
The inelastic scattering of neutrons by nanoparticles due to acoustic vibrational modes (energy below 10 meV) confined in nanoparticles is calculated using the Zemach-Glauber formalism. Such vibrational modes are commonly observed by light scattering techniques (Brillouin or low-frequency Raman scattering). We also report high resolution inelastic neutron scattering measurements for anatase TiO2 nanoparticles in a loose powder. Factors enabling the observation of such vibrations are discussed. These include a narrow nanoparticle size distribution which minimizes inhomogeneous broadening of the spectrum and the presence of hydrogen atoms oscillating with the nanoparticle surfaces which enhan…
Tuning the effective spin-orbit coupling in molecular semiconductors
2017
The control of spins and spin to charge conversion in organics requires understanding the molecular spin-orbit coupling (SOC), and a means to tune its strength. However, quantifying SOC strengths indirectly through spin relaxation effects has proven diffi- cult due to competing relaxation mechanisms. Here we present a systematic study of the g-tensor shift in molecular semiconductors and link it directly to the SOC strength in a series of high mobility molecular semiconductors with strong potential for future devices. The results demonstrate a rich variability of the molecular g-shifts with the effective SOC, depending on subtle aspects of molecular composition and structure. We correlate t…
Speeding up of microstructure reconstruction: I. Application to labyrinth patterns
2011
Recently, entropic descriptors based the Monte Carlo hybrid reconstruction of the microstructure of a binary/greyscale pattern has been proposed (Piasecki 2011 Proc. R. Soc. A 467 806). We try to speed up this method applied in this instance to the reconstruction of a binary labyrinth target. Instead of a random configuration, we propose to start with a suitable synthetic pattern created by cellular automaton. The occurrence of the characteristic attributes of the target is the key factor for reducing the computational cost that can be measured by the total number of MC steps required. For the same set of basic parameters, we investigated the following simulation scenarios: the biased/rando…
Transversal spin freezing and re-entrant spin glass phases in chemically disordered Fe-containing perovskite multiferroics
2015
We propose experimental verification and theoretical explanation of magnetic anomalies in the complex Fe-contained double perovskite multiferroics like PbFe$_{1/2}$Nb$_{1/2}$O$_3$. The theoretical part is based on our model of coexistence of long-range magnetic order and spin glass in the above substances. In our model, the exchange interaction is anisotropic, coupling antiferromagnetically $z$ spin components of Fe$^{3+}$ ions. At the same time, the $xy$ components are coupled by much weaker exchange interaction of ferromagnetic sign. In the system with spatial disorder (half of corresponding lattice cites are occupied by spinless Nb$^{5+}$ ions) such frustrating interaction results in the…
Stable topological textures in a classical 2D Heisenberg model
2009
We show that stable localized topological soliton textures (skyrmions) with $\pi_2$ topological charge $\nu \geq 1$ exist in a classical 2D Heisenberg model of a ferromagnet with uniaxial anisotropy. For this model the soliton exist only if the number of bound magnons exceeds some threshold value $N_{\rm cr}$ depending on $\nu $ and the effective anisotropy constant $K_{\rm eff}$. We define soliton phase diagram as the dependence of threshold energies and bound magnons number on anisotropy constant. The phase boundary lines are monotonous for both $\nu=1$ and $\nu >2$, while the solitons with $\nu=2$ reveal peculiar nonmonotonous behavior, determining the transition regime from low to high …
Unraveling modular microswimmers: From self-assembly to ion-exchange-driven motors
2018
Active systems contain self-propelled particles and can spontaneously self-organize into patterns making them attractive candidates for the self-assembly of smart soft materials. One key limitation of our present understanding of these materials hinges on the complexity of the microscopic mechanisms driving its components forward. Here, by combining experiments, analytical theory, and simulations we explore such a mechanism for a class of active system, modular microswimmers, which self-assemble from colloids and ion-exchange resins on charged substrates. Our results unveil the self-assembly processes and the working mechanism of the ion-exchange driven motors underlying modular microswimme…
Multiscale modelling of structure formation of C$_{60}$ on insulating CaF$_2$ substrates
2021
Morphologies of adsorbed molecular films are of interest in a wide range of applications. To study the epitaxial growth of these systems in computer simulations requires access to long time and length scales, and one typically resorts to kinetic Monte Carlo (KMC) simulations. However, KMC simulations require as input transition rates and their dependence on external parameters (such as temperature). Experimental data allow only limited and indirect access to these rates, and models are often oversimplified. Here, we follow a bottom-up approach and aim at systematically constructing all relevant rates for an example system that has shown interesting properties in experiments, buckminsterfull…
Sublimable complexes with spin switching: chemical design, processing as thin films and integration in graphene-based devices
2023
Among the different types of switchable molecular compounds, sublimable Fe(II) SCO molecules provide a suitable platform to develop smart devices that respond to external stimuli. Here we report the synthesis, crystallographic structure and magnetic properties of three new neutral Fe(II) SCO molecules belonging to the {Fe[H2B(pz)2]2(L)} family with bidentate-alpha-diimine ligands L = 3-(pyridin-2-yl)-[1,2,3]triazolo[1,5-a]pyridine (tzpy), 5,5,6,6-tetrahydro-4H,4H-2,2-bi(1,3-thiazine) (btz) and 4,4,5,5-tetrahydro-2,2-bithiazole (bt) (1, 2 and 3, respectively), as well as two solvated forms of 1 and 3. All three desolvated compounds present thermal- and light-induced SCO transitions with diff…
Brownian reservoir computing realized using geometrically confined skyrmion dynamics
2022
AbstractReservoir computing (RC) has been considered as one of the key computational principles beyond von-Neumann computing. Magnetic skyrmions, topological particle-like spin textures in magnetic films are particularly promising for implementing RC, since they respond strongly nonlinearly to external stimuli and feature inherent multiscale dynamics. However, despite several theoretical proposals that exist for skyrmion reservoir computing, experimental realizations have been elusive until now. Here, we propose and experimentally demonstrate a conceptually new approach to skyrmion RC that leverages the thermally activated diffusive motion of skyrmions. By confining the electrically gated a…
Effects of pressure on the local atomic structure of CaWO4 and YLiF4: mechanism of the scheelite-to-wolframite and scheelite-to-fergusonite transitio…
2003
The pressure response of the scheelite phase of CaWO4 (YLiF4) and the occurrence of the pressure induced scheelite-to-wolframite (M-fergusonite) transition are reviewed and discussed. It is shown that the change of the axial parameters under compression is related with the different pressure dependence of the W-O (Li-F) and Ca-O (Y-F) interatomic bonds. Phase transition mechanisms for both compounds are proposed. Furthermore, a systematic study of the phase transition in 16 different scheelite ABX4 compounds indicates that the transition pressure increases as the packing ratio of the anionic BX4 units around the A cations increases.