Materials Literature
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The influence of $A$ site disorder on the magnetic and transport properties of ${\mathrm{Pr}}_{0.6}{R}_{0.1}{\mathrm{Sr}}_{0.3}\mathrm{Mn}{\mathrm{O}}_{3}$ ($R=\mathrm{Tb}$, Y, Ho, and Er) polycrystalline samples is analyzed within the context of percolative transport and the existence of the Griffiths phase. The temp…
Here we report the synthesis and characterization of a new class of nanocomposite by direct in situ oxidative polymerization of 3,4-ethylenedioxythiophene (EDOT) with VS2 as a host material in the presence of an external oxidizing agent. Upon intercalation, the interlayer spacing of VS2 expands from 5.71 Å to 14.01 Å,…
The principal derivative of chitin is chitosan, which is obtained by deacetylation of chitin. Chemical modification of synthetic and natural polymers is a convenient way to obtain materials with unique chemical and physical properties. Chitosan has an amino group at C-2 which is important because amino groups are nucl…
A synthetic method that can fine tune the amount of chemically accessible organic functional groups on the pore surface of MCM-41 type mesoporous silica nanosphere (MSN) materials has been developed by electrostatically matching various anionic organoalkoxysilanes with the cationic cetyltrimethylammonium bromide micel…
Abstract Three systematically functionalized pyrrolide ligands were prepared via the coupling of methyl vinyl ketone and the respective carbaldehyde reagents, followed by treatment of the pre‐formed dicarbonyl compounds with (NH 4 ) 2 CO 3 in order to generate the required pyrrole fragment. These ligands readily react…
The hole distribution in a double quantum well (QW) structure consisting of a magnetic and a nonmagnetic semiconductor QW is investigated as a function of temperature, the energy shift between the QWs, and other relevant parameters. When the itinerant holes mediate the ferromagnetic ordering, it is shown that a bistab…
A most basic and puzzling enigma in surface science is the description of the dissociative adsorption of O2 at the (111) surface of Al. Already for the sticking curve alone, the disagreement between experiment and results of state-of-the-art first-principles calculations can hardly be more dramatic. In this paper we s…
We study the effects of the presence of contrarians in an agent-based model of competing populations. Contrarians are common in societies. These contrarians are agents who deliberately prefer to hold an opinion that is contrary to the prevailing idea of the commons or normal agents. Contrarians are introduced within t…
We calculate the ground-state energy of one and two-dimensional spatially inhomogeneous antiferromagnetic Heisenberg models for spins 1/2, 1, 3/2 and 2. Our calculations become possible as a consequence of the recent formulation of density-functional theory for Heisenberg models. The method is similar to spin-density-…
We report on a study of the ac conductivity and magneto-optical properties of metallic ferromagnetic (III, Mn)V semiconductors in the infrared to visible spectrum at zero temperature. Our analysis is based on the successful kinetic exchange model for (III, Mn)V ferromagnetic semiconductors. We perform the calculations…
We briefly review the status of the application of carbon nanotubes (CNTs) for future interconnects and present results concerning possible integration schemes. Growth of single nanotubes at lithographically defined locations (vias) has been achieved which is a prerequisite for the use of CNTs as future interconnects.…
We show that the bulk Dresselhauss ($k^3$) spin-orbit coupling term leads to an intrinsic spin-Hall effect in n-doped bulk GaAs, but without the appearance of uniform magnetization. The spin-Hall effect in strained and unstrained bulk GaAs has been recently observed experimentally by Kato {\emph{et. al.}} \cite{kato20…
Joint influence of two effects, namely, nonequilibrium spin injection by current, and current induced surface torque, on spin-valve type ferromagnetic metallic junctions is considered theoretically. The CPP configuration is assumed. The consideration is based on solving a coupled set of equations of motion for the mob…
The configurational states as introduced by Goldstein represent the system's basins and are characterized by their free energies $φ(T,V)$ as we show here. We find that the energies of some of the special points (termed basin identifiers here) like the basin minima, maxima, lowest energy barriers, etc. cannot be used t…
Atomistic density functional theory (DFT) calculations of the capacitance between a metallic cylindric gate and a carbon nanotube (CNT) are reported. Results stressing the predominant effect of quantum capacitance in limiting or even enhancing screening properties of the CNT are shown. Other contributions to the quant…
Metamaterials are new artificial materials with unusual electromagnetic properties that are not found in naturally occurring materials. All "natural" materials such as glass, diamond and such have positive electrical permittivity, magnetic permeability and an index of refraction. In these new artificially fabricated m…
Abstract A sonochemical method has been successfully used in order to incorporate MnO 2 nanoparticles inside the pore channels of CMK‐3 ordered mesoporous carbon. Modification of the intrachannel surfaces of CMK‐3 to make them hydrophilic enables KMnO 4 to readily penetrate the pore channels. At the same time, the mod…
We determined the three-dimensional crystal structure of the protein YML079wp, encoded by a hypothetical open reading frame from Saccharomyces cerevisiae to a resolution of 1.75 A. The protein has no close homologs and its molecular and cellular functions are unknown. The structure of the protein is a jelly-roll fold…
Phonon-induced spin relaxation rates in quantum dots are studied as function of in-plane and perpendicular magnetic fields, temperature and electric field, for different dot sizes. We consider Rashba and Dresselhaus spin-orbit mixing in diferent materials, and show how Zeeman sublevels can relax via piezoelectric and…
Vibration properties of Zn(1-x)Be(x)Se, a mixed II-VI semiconductor haracterized by a high contrast in elastic properties of its pure constituents, ZnSe and BeSe, are simulated by first-principles calculations of electronic structure, lattice relaxation and frozen phonons. The calculations within the local density app…