Materials Literature
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We describe the effective Lorentz forces on the ions of a generic insulating system in an magnetic field, in the context of Born-Oppenheimer ab-initio molecular dynamics. The force on each ion includes an important contribution of electronic origin, which depends explicitly on the velocity of all other ions. It is for…
A lyotropic ferrocolloid is synthesized by mixing of a cationic ferrofluid and potassium laurate/1-decanol/water ternary solution. Conditions of existence of a nematic phase in this mixture, other mesophases, and their phase diagrams in the vicinity of the nematic one are obtained and characterized quantitatively. Ins…
The effect of the fractal clusters of a normal phase, which act as pinning centers, on the dynamics of magnetic flux in percolative type-II superconductor is considered. The main features of these clusters are studied in detail: the cluster statistics is analyzed; the fractal dimension of their boundary is estimated;…
The one-orbital model for manganites with cooperative phonons and superexchange coupling JAF is investigated via large-scale Monte Carlo simulations. The results for two orbitals are also briefly discussed. Focusing on the electron density n=0.75, a regime of competition between ferromagnetic metallic and charge-order…
The deconvolution algorithm for measuring distribution of space charge under dc by the pressure wave propagation (PWP) method is studied in this paper. A new Fredholm integral equation of first kind, including a space charge distribution without a partial differential operator is presented. Numerical methods based on…
Geometrical constructions, such as the tangent construction on the molar free energy for determining whether a particular composition of a solution, is stable, are related to similar tangent constructions on the orientation-dependent interfacial energy for determining stable interface orientations and on the orientati…
Photoluminescence (PL) properties of materials containing transition-metal ions depend on a variety of structural factors such as electronic structure, site symmetry and neighbouring atoms. These factors play a crucial role for the occurrence PL i.e. the PL quantum yield. This work investigates different mechanisms le…
To obtain insight into the structure and surface stoichiometry of copper-based catalysts in commercially important chemical reactions such as the oxygen-assisted water-gas shift reaction, we perform density-functional theory calculations to investigate the relative stability of low-index copper oxide surfaces. By empl…
In this paper, results of ab initio band structure calculations for A(2)BC Heusler compounds that have A and B sites occupied by transition metals and C by a main group element are presented. This class of materials includes some interesting half-metallic and ferromagnetic properties. The calculations have been perfor…
Electron injection from excited CdSe quantum dots into TiO 2 nanoparticles can be easily modulated by controlling the particle size. Femtosecond transient absorption studies indicate that the rate constant for electron transfer from the thermalized s-state of CdSe quantum dots increases with decreasing particle size.…
Abstract A planar composite metamaterial consisting of bilayers of metal cutwire pairs and long wire pairs which are separated by a thin dielectric layer is designed and fabricated for microwave frequencies. The simulated and experimentally measured transmission spectra of the metamaterial and its individual component…
A number of novel protein amino acid-based single crystals were grown from aqueous solutions and their dielectric and pyroelectric properties were studied in a temperature range 140–340 K. It was shown that some of the crystals such as L-His· (H3P04)2, L-Tyr· HCl, L-Ala2H3PO3· H2O have pyroelectric figure-of-merit com…
Dense polycrystalline samples of CaCu 3 Ti 4 O 12 (CCTO) were prepared by solid-state reaction method under a high hydraulic pressure of 700 MPa, and characterized by X-ray diffraction, scanning electron microscopy and atomic force microscopy (AFM). Probing of the conduction path in nanoscale by AFM reveals that the g…
Lithium aluminate nanorods were successfully synthesized from Al2O3 nanoparticles and lithium hydroxide by a simple, large-scale hydrothermal process without any surfactant or template. The various reaction parameters were optimized to achieve the maximum yield. The as-obtained nanorods had orthorhombic beta-lithium a…
The X-ray photon correlation spectroscopy technique probes the slow dynamics of disordered materials, overcoming the limitations of using photon correlation spectroscopy with coherent visible light. It extends the accessible range of the modulus of the scattering vector to short wavelength density fluctuations and is…
The electron field emission properties of different graphitic and diamond-like nanostructures films are compared. They are prepared in the same CVD chamber on SiO2/Si(100) and Si(100) flat surfaces, respectively. These nanostructures are thoroughly characterized by scanning electron emission (SEM), transmission electr…
Abstract The authors investigate the resonances of split‐ring resonator (SRR) structures experimentally and theoretically. The transmission measurements were performed on a single SRR unit cell and periodic arrays of SRRs. The magnetic response of the SRR structure was demonstrated by comparing the SRRs' transmission…
The dynamic structure factor S(Q,omega) of the refractory oxide melts MgAl2O4 and MgAl4O7 is studied by inelastic x-ray scattering with aerodynamic levitation and laser heating. This technique allows the authors to measure simultaneously the elastic response and transport properties of melts under extreme temperatures…
Two novel indium silicates, K5In3Si7O21 (1) and K4In2Si8O21 (2), have been synthesized by a flux-growth method and characterized by single-crystal X-ray diffraction. The structure of 1 consists of siebener single chains of corner-sharing SiO4 tetrahedra running along the b axis linked via corner-sharing by In2O9 face-…
We study the conduction of heat across a narrow solid strip trapped by an external potential and in contact with its own liquid. Structural changes, consisting of addition and deletion of crystal layers in the trapped solid, are produced by altering the depth of the confining potential. Nonequilibrium molecular dynami…