Materials Literature
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We report experimental evidence for the generation of ferroelectric polarization in an organic conductor α-[bis(ethylenedithio)tetrathiafulvalene] 2 I 3 obtained by optical second-harmonic generation. The spontaneous polarization emerges along with a metal-to-insulator transition that is driven by the Wigner crystalli…
We show that a generalized Landau theory for the smectic-A-smectic-C (Sm- A -Sm- C ) phases exhibits a biaxiality induced Sm- A -Sm- C tricritical point. Proximity to this tricritical point depends on the degree of orientational order in the system; for sufficiently large orientational order the Sm-A-Sm-C transition i…
We review how a magnetic resonance force microscope (MRFM) can be applied to perform ferromagnetic resonance (FMR) spectroscopy of \emph{individual} sub-micron size samples. We restrict our attention to a thorough study of the spin-wave eigen-modes excited in permalloy (Py) disks patterned out of the same 43.3 nm thin…
We have realized and measured a GaAs nanocavity in a slab photonic crystal based on the design by Kuramochi et al. [Appl. Phys.Lett., \textbf{88}, 041112, (2006)]. We measure a quality factor Q=700,000, which proves that ultra-high Q nanocavities are also feasible in GaAs. We show that, due to larger two-photon absorp…
Dislocation and grain-boundary melting are studied in three dimensions using the phase field crystal method. Isolated dislocations are found to melt radially outward from their core, as the localized excess elastic energy drives a power-law divergence in the melt radius. Dislocations within low angle to intermediate a…
We have studied the formation of graphene on the Si face of SiC(0001)-6H and -4H using in situ electron microscopy. By imaging the nucleation and growth of the $6\sqrt{3}$ ``buffer layer'' during annealing in vacuum we identify key factors responsible for the appearance of deep pits during graphene formation. Pits for…
We use a recently developed self-consistent GW approximation to present first principles calculations of the conduction band spin splitting in GaAs under [110] strain. The spin orbit interaction is taken into account as a perturbation to the scalar relativistic hamiltonian. These are the first calculations of conducti…
The (TiO2)n clusters and their anions for n = 1-4 have been studied with coupled cluster theory [CCSD(T)] and density functional theory (DFT). For n > 1, numerous conformations are located for both the neutral and anionic clusters, and their relative energies are calculated at both the DFT and CCSD(T) levels. The CCSD…
The reactivity of heterogeneous metal catalysts can be a strong function of the coverage of adsorbates. For example, Pt-catalyzed NO oxidation to NO 2 requires high concentrations of chemisorbed (surface-bound) O, but the development of surface oxides is detrimental to reaction kinetics. Quantifying the structures, pr…
We investigate the effects of electron and acoustic-phonon confinement on the low-field electron mobility of thin square silicon nanowires (SiNWs) that are surrounded by SiO$_2$ and gated. We employ a self-consistent Poisson-Schrödinger-Monte Carlo solver that accounts for scattering due to acoustic phonons (confined…
The first 52 fs of a time evolution of the electron density in OCS after an interaction with an intense sub 10 fs laser pulse are studied using the time-dependent density functional theory. The nuclear motion in this linear trimer is simulated by the classical molecular dynamics method. Laser fields of intensity 10^{1…
One-dimensional nonlinear phononic crystals have been assembled from periodic diatomic chains of stainless steel cylinders alternated with Polytetrafluoroethylene (PTFE) spheres. We report the presence of acoustic band gaps in the dispersion relation of the linearized systems and study the transformation of single and…
Several Niobium oxides of formula Ba2LnFeNb4O15 (Ln = La, Pr, Nd, Sm, Eu, Gd) with the Tetragonal Tungsten Bronze (TTB) structure have been synthesised by conventional solid-state methods. The Neodymium, Samarium and Europium compounds are ferroelectric with Curie temperature ranging from 320 to 440K. The Praseodymium…
We investigate the relationship between electronics and geometry in a nonplanar SiGe/Si resonant quantum cavity (RQC) subject to a magnetic field. The transfer matrix technique originally due to Usuki and coworkers (Phys. Rev. B 52, 8244 1995) has been modified to account for the nonzero local curvature of the RQC. Ou…
We investigate the photoconversion of aqueous 8 nm Ag nanocrystal seeds into 70 nm single crystal plate nanoprisms. The process relies on the excitation of Ag surface plasmons. The process requires dioxygen, and the transformation rate is first-order in seed concentration. Although citrate is necessary for the convers…
We report experimental results of ^{75}As and ^{139}La nuclear magnetic resonance (NMR) in the iron-based layered La(O_{1-x}F_{x})FeAs (x= 0.0, 0.04 and 0.11) system. In the undoped LaOFeAs, 1/T_1 of ^{139}La exhibits a distinct peak at T_N ~ 142 K below which the spectra become broadened due to the internal magnetic…
Diffusional limitations of mass transport have adverse effects on engineering tissues that normally have high vascularity and cellularity. The current electrospinning method is not always successful to create micropores to encourage cell infiltration within the scaffold, especially when relatively large-sized pores ar…
We present an algorithm for generating all derivative superstructures---for arbitrary parent structures and for any number of atom types. This algorithm enumerates superlattices and atomic configurations in a geometry-independent way. The key concept is to use the quotient group associated with each superlattice to de…
Predicting the strain hardening properties of crystals constitutes a long-standing challenge for dislocation theory. The main difficulty resides in the integration of dislocation processes through a wide range of time and length scales, up to macroscopic dimensions. In the present multiscale approach, dislocation dyna…
The synthesis of ordered mesoporous metal composites and ordered mesoporous metals is a challenge because metals have high surface energies that favor low surface areas. We present results from the self-assembly of block copolymers with ligand-stabilized platinum nanoparticles, leading to lamellar CCM-Pt-4 and inverse…