Materials Literature
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We review what we have learned about the scattering of electrons by the interfaces between two different metals (M1/M2) in the current-perpendicular-to-plane (CPP) geometry. In this geometry, the intrinsic quantity is the specific resistance, AR, the product of the area through which the CPP current flows times the CP…
Assembling bimetallic {Ni-Ln}(3+) units and {W(CN)(8)}(3-) is shown to be an efficient route toward heteronuclear {3d-4f-5d} compounds. The reaction of either the binuclear [{L(Me2)Ni(H(2)O)(2)}{Ln(NO(3))(3)}] complexes or their mononuclear components [L(Me2)Ni] and Ln(NO(3))(3) with (HNBu(3))(3){W(CN)(8)} in dmf foll…
Swift xenon ions (1.43 GeV) were used to systematically investigate the radiation response of pyrochlores in the ${\text{Gd}}_{2}{\text{Zr}}_{2\ensuremath{-}x}{\text{Ti}}_{x}{\text{O}}_{7}$ binary in the electronic energy loss regime. Ion-induced structural modifications were characterized by synchrotron x-ray diffrac…
We propose a theoretical scheme for a hybrid simulation technique where self-consistent field theory and molecular dynamics simulation are combined (MD-SCF). We describe the detail of the main implementation issues on the evaluation of a smooth three-dimensional spatial density distribution and its special gradient ba…
We construct a semi-microscopic theory, to describe the optical conductivity of GaMnAs in the dilute limit, x = 1%. We construct an effective Hamiltonian that captures inside-impurity band optical transitions as well as transitions between the valence band and the impurity band. All parameters of the Hamiltonian are c…
In an electron system coupled with anharmonic phonons, i.e., {\it rattling}, inverse isotope effect on the Kondo temperature $T_{\rm K}$ is found to occur by the numerical evaluation of the Sommerfeld constant $γ$ of the Anderson-Holstein model. For the anharmonic potential of an oscillator with mass $M$ in which larg…
Ferrites with general formula Ni (1-x) Co x Fe 2 O 4 (where x = 0.0, 0.2, 0.4, 0.6 and 0.8) were prepared by the conventional double sintering ceramic method.The microstructural features were observed by scanning electron microscopy.An infrared spectroscopy study shows the presence of absorption bands in the higher fr…
The drainage of SiO(2) nanoparticle-cationic surfactant (TTAB) mixtures through calibrated aqueous foams had been studied by combining several approaches on both the macroscopic and the local scale. Macroscopic measurements reveal a strong stabilizing effect arising for nanoparticle concentrations as low as 2 wt % mai…
Ab initio density-functional calculations have been used to study the response of two face-centered-cubic metals (Al and Cu) to shearing parallel to the close-packed (111) planes along two different directions, $[11\overline{2}]$ and $[\overline{1}10]$. Two different types of deformations---affine and alias---have bee…
We study the vibrational modes of three-dimensional jammed packings of soft ellipsoids of revolution as a function of particle aspect ratio $ε$ and packing fraction. At the jamming transition for ellipsoids, as distinct from the idealized case using spheres where $ε= 1$, there are many unconstrained and non-trivial ro…
In this work, we use the first-principle density-functional approach to study the electronic structure of a H atom adsorbed on the ideal Pt(111) and vicinal Pt(211) and Pt(331) surfaces. Full three-dimensional potential-energy surfaces (3D PES's) as well as local electronic density of states on various adsorption site…
The structural, elastic, and electronic properties of ReN$_{2}$ are investigated by first-principles calculations with density functional theory. The obtained orthorhombic $Pbcn$ structure is energetically the most stable structure at ambient pressure. ReN$_{2}$ is a metallic, superincompressible solid and presents a…
The percentage of substitutional doping of magnetic atoms (Mn) in group-IV-based dilute magnetic semiconductors can be increased by codoping with another conventional electronic dopant, as demonstrated from first-principles calculations recently [W. G. Zhu, Z. Y. Zhang, and E. Kaxiras, Phys. Rev. Lett. 100, 027205 (20…
All living organisms face a variety of environmental stresses that cause the misfolding and aggregation of proteins. To eliminate damaged proteins, cells developed highly efficient stress response and protein quality control systems. We performed a biochemical and structural analysis of the bacterial CtsR/McsB stress…
Abstract Little hollow! Monodisperse ZnS hollow nanospheres (see figure) of about 200 nm in size have been fabricated on a large scale by a hydrothermal method and they show good photocatalytic activity in the decolorization of an aqueous solution of rhodamine B under UV irradiation. magnified image Monodisperse wurtz…
The increasing use of nanomaterials in almost all sectors of society (e.g., health or energy to agriculture and transport) has generated a need for innovative detection methods for nanomaterials, to enable their continued development, environmental and toxicological monitoring, and risk assessment. In vivo nanoparticl…
We have studied the transport properties of graphene transistors in different solvents with dielectric constant varying over 2 orders of magnitude. Upon increasing the dielectric constant, the carrier mobility increases up to 3 orders of magnitude and reaches approximately 7 x 10(4) cm(2)/v.s at the dielectric constan…
Quasicrystals are solids whose atomic arrangements have symmetries that are forbidden for periodic crystals, including configurations with fivefold symmetry. All examples identified to date have been synthesized in the laboratory under controlled conditions. Here we present evidence of a naturally occurring icosahedra…
Fabrication of scaffolds with suitable chemical, mechanical, and electrical properties is critical for the success of nerve tissue engineering. Electrical stimulation was directly applied to electrospun conductive nanofibrous scaffolds to enhance the nerve regeneration process. In the present study, electrospun conduc…
Tissue engineering is currently limited by the inability to adequately vascularize tissues in vitro or in vivo. Issues of nutrient perfusion and mass transport limitations, especially oxygen diffusion, restrict construct development to smaller than clinically relevant dimensions and limit the ability for in vivo integ…