Materials Literature
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Effective Hamiltonians for LaFeAsO and LaFePO are derived from the downfolding scheme based on first-principles calculations and provide insights for newly discovered superconductivity in the family of LnFeAsO$_{1-x}$F$_x$, Ln = La, Ce, Pr, Nd, Sm, and Gd. Extended Hubbard Hamiltonians for five maximally localized Wan…
Based on ab initio and classical molecular-dynamics simulations, we investigate the role of vacancy-vacancy interaction in oxygen conductivity of yttria-stabilized and scandia-stabilized cubic zirconia. It turns out that a sizable fraction of possible configurations of vacancies are local unstable, although the vacanc…
We succeeded in synthesizing of a whole family of isostructural solvates of the copper(II) hexafluoroacetylacetonate complex with pyrazolyl-substituted nitronyl nitroxide (L): Cu(hfac)2L x 0.Solv. The main feature inherent in nature of Cu(hfac)2L x 0.5 Solv single crystals is their incredible mechanical stability and…
Localized deformation may play a key role in the underlying mechanism of irradiation assisted stress corrosion cracking (IASCC) in light water reactor core components. In this study, four austenitic alloys, 18Cr8Ni, 15Cr12Ni, 13Cr15Ni and 21Cr32Ni, with different stacking fault energies were irradiated to 1 and 5 dpa…
Flows of dense emulsions show many complex features among which long range nonlocal effects pose a problem for macroscopic characterization. In order to get around this problem, we study the flows of several dense emulsions, with droplet size ranging from 0.3to40microm , in a wide-gap Couette geometry. We couple macro…
Electrical injection and detection of spin-polarized electrons is demonstrated for the first time in a single wafer, all-semiconductor, GaAs-based lateral spintronic device, employing p+-(Ga,Mn)As/n+-GaAs ferromagnetic Esaki diodes as spin aligning contacts. The conversion of spin-polarized holes into spin-polarized e…
We report low temperature synthesis of nearly monodispersed NiCo 2 O 4 nanoparticles by a combustion method utilizing glycine as a fuel and nitrate as oxidizer. An appropriate glycine-to-metal nitrate molar ratio favors the formation of nearly monodispersed NiCo 2 O 4 nanoparticles. We discuss the relevant synthesis c…
ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTTwo-Stage pH Response of Poly(4-vinylpyridine) Grafted Gold NanoparticlesDongxiang Li†, Qiang He†‡, Yang Yang‡, Helmuth Möhwald†, and Junbai Li*‡View Author Information Max Planck Institute of Colloids and Interfaces, D-14476 Golm/Potsdam, Germany, and Beijing National Laborato…
Present paper is a review of results, obtained in the framework of semiclassical approach in nanophysics. Semiclassical description, based on Electrostatics and Thomas-Fermi model was applied to calculate dimensions of the electronic shell of a fullerene molecule and a carbon nanotube. This simplified approach yields…
The transition of van der Waals to Casimir forces between macroscopic gold surfaces is investigated by Atomic Force Microscopy in the plane-sphere geometry. It was found that the transition appears to take place at separations about 10 % the plasma wavelength for evaporated gold surfaces, which compares to theoretical…
The phase field technique for modeling multiphase materials I Singer-Loginova and H M Singer - Phase field theory of polycrystalline solidification in three dimensions T. Pusztai, G.
We have obtained spectra of second-harmonic generation, third-harmonic generation, and four-wave mixing from a fishnet metamaterial around its magnetic resonance. The resonant behaviors are distinctly different from those for ordinary materials. They result from the fact that the resonance is plasmonic, and its enhanc…
We determine the distribution of cluster sizes that emerges from an initial phase of homogeneous aggregation with conserved total particle density. The physical ingredients behind the predictions are essentially classical: Super-critical nuclei are created at the Zeldovich rate, and before the depletion of monomers is…
Heat capacity measurements were performed on recently discovered iron based layered superconductors, non doped LaFePO and fluorine doped LaFePO. A relatively large electronic heat capacity coefficient and a small normalized heat capacity jump at Tc = 3.3 K were observed in LaFePO. LaFePO0.94F0.06 had a smaller electro…
We solve the Percus-Yevick equation in even dimensions by reducing it to a set of simple integro-differential equations. This work generalizes an approach we developed previously for hard discs. We numerically obtain both the pair correlation function and the virial coefficients for a fluid of hyper-spheres in dimensi…
Using local density approximation (LDA) calculations we predict GdFeO 3 -like rotation of TiO 6 octahedra at the n -type interface between LaAlO 3 and SrTiO 3 . This results in a narrowing of the Ti d bandwidth by 1/3 so that LDA+ U calculations predict an antiferromagnetic, charge- and spin-ordered ground state for v…
The sculpturing effect of chloride ions on the shape transformation of silver nanoparticles is presented. UV−vis spectroscopy and transmission electron microscopy (TEM) were used to monitor the evolution of silver nanoplates. Cl − can etch the corners and side faces of the silver nanoprism, and the resulting nanoparti…
Here we report the synthesis and basic characterization of ${\text{LaFe}}_{1\ensuremath{-}x}{\text{Co}}_{x}\text{AsO}$ for several values of $x$. The parent phase LaFeAsO orders antiferromagnetically $({T}_{N}\ensuremath{\approx}145\text{ }\text{K})$. Replacing Fe with Co is expected both to electron dope and introduc…
Planar reconstruction patterns at the zigzag and armchair edges of graphene were investigated with density-functional theory. It was unexpectedly found that the zigzag edge is metastable and a planar reconstruction spontaneously takes place at room temperature. The reconstruction changes electronic structure and self-…
Surface and interfacial properties of borosilicate glass/ceramic systems have been investigated using the sessile drop method. The purpose is to compare and understand the reactivity of the sealing glass in C / SiC and SiC / SiC composites. A hot wall reactor has been designed to measure the variation of the contact a…