Materials Literature
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Abstract Different organic yellow, magenta, and blue pigment nanoparticles can be efficiently encapsulated by cosonicating pigment dispersions and monomer miniemulsions in the pigment to monomer weight ratio of 80:20, followed by polymerization. As polymers polystyrene, different polyacrylates or copolymers could be u…
This tutorial review describes how complexes of iron(II) (and, rarely, other metal ions) can be switched between their high- and low-spin states by different physical stimuli. At low temperatures, it is possible to trap a compound in a metastable excited spin-state which, in favourable cases, may be stable to thermal…
A new series of heterolanthanide(III)-copper(I) wheel-cluster complexes [Ln6(micro3-O)2](IN)18-[Cu8(micro4-I)2(micro2-I)3].H3O (IN=isonicotinate; Ln=Y 1, Nd 2, Dy 3, Gd 4, Sm 5, Eu 6, Tb 7) were prepared by hydrothermal reaction at low pH. X-ray crystallographic studies reveal that two unusual trinuclear [Ln3(micro3-O…
We present a detailed study of the structural behavior and polarization reversal mechanism in phase III of $\mathrm{K}\mathrm{N}{\mathrm{O}}_{3}$, an unusual ferroelectric material in which the nitrate groups rotate during polarization reversal. This material was one of several studied in a previous work [O. Di\'eguez…
We present calculations for resonant inelastic x-ray scattering (RIXS) in edge-shared copper oxide systems, such as CuGeO$_{3}$ and Li$_{2}$CuO$_{2}$, appropriate for hard x-ray scattering where the photoexcited electron lies above oxygen 2p and copper 3d orbital energies. We perform exact diagonalizations of the mult…
We have studied the ground state of a fullerene--based magnet, the $α'$--phase tetra--$kis$--(dimethylamino)--ethylene--C$_{60}$ ($α'$--TDAE--C$_{60}$), by electron spin resonance (ESR) and magnetic torque measurements. Below T$_N=7$ K, non--paramagnetic field dependent resonances with a finite excitation gap (1.7 GHz…
Spectral approach to the charge carrier transport in $p-n$-junctions has allowed us to revise the theoretical results relating to large signal operation of the junction to make them valid for both the low and high frequencies ranges. The spectral composition of the external circuit current includes both the DC and AC…
We theoretically and numerically study the design of optical 'lumped' nanofiltering devices in the framework of our recently proposed paradigm for optical nanocircuits. In particular, we present the design of basic filtering elements, such as low-pass, band-pass, stop-band and high-pass 'lumped' nanofilters, for use i…
A statistical analysis of the breaking behavior of Ni nanowires is presented. Using molecular dynamic simulations, we have determined the time evolution of both the nanowire atomic structure and its minimum cross section (Sm(t)). Accumulating thousands of independent breaking events, Sm histograms are built and used t…
Low-energy electron microscopy (LEEM) was used to measure the reflectivity of low-energy electrons from graphitized SiC(0001). The reflectivity shows distinct quantized oscillations as a function of the electron energy and graphite thickness. Conduction bands in thin graphite films form discrete energy levels whose wa…
We report results of dc magnetization studies focusing particularly on the austenite-martensite phase transition in ${\mathrm{Ni}}_{50}{\mathrm{Mn}}_{34}{\mathrm{In}}_{16}$. We show that the nature of this phase transition depends significantly on the temperature (T) and magnetic field (H) history of the sample. In th…
The binary phase diagram CaF$_2$--SrF$_2$ was investigated by differential thermal analysis (DTA). Both substances exhibit unlimited mutual solubility with an azeotropic point showing a minimum melting temperature of T_\mathrm{min}=1373^{\circ}$C for the composition Ca$_{0.582}$Sr$_{0.418}$F$_2$. Close to this composi…
A new classical potential for methyl-thiol on a Au(111) surface has been developed using density functional theory electronic structure calculations. Energy surfaces between methyl-thiol and a gold surface were investigated in terms of symmetry sites and thiol density. Geometrical optimization was employed over all th…
We study the elasticity of random stiff fiber networks. The elastic response of the fibers is characterized by a central force stretching stiffness as well as a bending stiffness that acts transverse to the fiber contour. Previous studies have shown that this model displays an anomalous elastic regime where the stretc…
We present a detailed study of proton dynamics in the hydrogen-bonded superprotonic conductor $\mathrm{Cs}\mathrm{H}\mathrm{S}{\mathrm{O}}_{4}$ from first-principles molecular dynamics simulations, isolating the subtle interplay between the dynamics of the O---H chemical bonds, the O\ensuremath{\cdots}H hydrogen bonds…
Quantum transport through single molecules is very sensitive to the strength of the molecule-electrode contact. When a molecular junction weakly coupled to external electrodes, charging effects do play an important role (Coulomb blockade regime). In this regime, the non-equilibrium Green function is usually substitute…
We present a Hamiltonian in real space which is well suited to study numerically the behavior of holes introduced in III-V semiconductors by Mn doping when the III$^{3+}$ ion is replaced by Mn$^{2+}$. We consider the actual lattice with the diamond structure. Since the focus is on light doping by acceptors, a bonding…
Al(0.37)Ga(0.63)As nanowires (NWs) were grown in a molecular beam epitaxy system on GaAs(111)B substrates. Micro-photoluminescence measurements and energy dispersive X-ray spectroscopy indicated a core-shell structure and Al composition gradient along the NW axis, producing a potential minimum for carrier confinement.…
We construct a mean-field formulation of the thermodynamics of ion solvation in immiscible polar binary mixtures. Assuming an equilibrium planar interface separating two semi-infinite regions of different constant dielectric medium, we study the electrostatic phenomenon of differential adsorption of ions at the interf…
Outside silver, inside gold: Gold nanoparticles are used as seeds to probe the role of plasmon excitation in the photomediated growth of silver nanoprisms. This approach generates novel core–shell nanostructures that contain a spherical (see TEM image, inset shows side view) or triangular-prism gold core with a triang…