Materials Literature
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A neutron scattering investigation of the magnetoelectric coupling in PbFe${}_{1/2}$Nb${}_{1/2}$O${}_{3}$ has been undertaken. Ferroelectric order occurs below 400 K, as evidenced by the softening with temperature and subsequent recovery of the zone center transverse optic phonon mode energy ($\ensuremath{\hbar}{\ensu…
We present a comprehensive study of the adsorption behavior of iron phthalocyanine on the low-index crystal faces of silver. By combining measurements of the reciprocal space by means of photoelectron momentum mapping and low energy electron diffraction, the real space adsorption geometries are reconstructed. At monol…
We present a general formalism of ultrafast diffractive voltammetry approach as a contact-free tool to investigate the ultrafast surface charge dynamics in nanostructured interfaces. As case studies, the photoinduced surface charging processes in oxidized silicon surface and the hot electron dynamics in nanoparticle-d…
An amino-acid-based (11-(4-(pyrene-1-yl)butanamido)undecanoic acid) self-repairing hydrogel is reported. The native hydrogel, as well as hybrid hydrogels, have been thoroughly characterized by using various microscopic techniques, including transmission electron microscopy (TEM), atomic force microscopy (AFM), Raman s…
Bloch points are magnetic topological defects. The discrete nature of a magnetic lattice creates a periodic potential that can pin a Bloch point. The pinning force is of the order of the exchange constant, a few piconewtons in a typical ferromagnet (permalloy). A domain wall containing a Bloch point can have a sizable…
The aim of this review article is to assess the descriptive capabilities of the Hubbard-rooted LDA+U method and to clarify the conditions under which it can be expected to be most predictive. The paper illustrates the theoretical foundation of LDA+U and prototypical applications to the study of correlated materials, d…
Using advanced first-principles calculations we predict that the nonpolar SrTiO${}_{3}$/SrZrO${}_{3}$ (001) interface, designed as either thin SrZrO${}_{3}$ film deposited on SrTiO${}_{3}$ or short-period (SrTiO${}_{3}$)${}_{m}$/(SrZrO${}_{3}$)${}_{n}$ superlattice, hosts a two-dimensionally confined electron gas. Mob…
The screening properties and collective excitations (plasmons) in AA-stacked bilayer graphene are studied within the random phase approximation. Whereas long-lived plasmons in single-layer graphene and in AB-stacked bilayer graphene can exist only in doped samples, we find that coherent plasmons can disperse in AA-sta…
The coherent modulation of electronic and vibrational nonlinearities in atoms and molecular gases by intense few-cycle pulses has been used for high-harmonic generation in the soft X-ray and attosecond regime, as well as for Raman frequency combs that span multiple octaves from the Terahertz to Petahertz frequency reg…
The concept of quasiparticles in solid-state physics is an extremely powerful way to describe complex many-body phenomena in terms of single particle excitations. Introducing a simple particle such as electron, e, hole, h, or a phonon, p, deforms a many-body system through interaction with other particles. We say the…
We report on the selective creation of spin filltering regions in non-magnetic InGaAs layers by implantation of Ga ions by Focused Ion Beam. We demonstrate by photoluminescence spectroscopy that spin dependent recombination (SDR) ratios as high as 240% can be achieved in the implanted areas. The optimum implantation c…
We present an approach for ab initio many-body calculations of excited states in solids. Using auxiliary-field quantum Monte Carlo, we introduce an orthogonalization constraint with virtual orbitals to prevent collapse of the stochastic Slater determinants in the imaginary-time propagation. Trial wave functions from d…
The specific-heat difference between the O:H van der Waals bond and the H-O polar-covalent bond and the Coulomb repulsion between electron pairs on adjacent oxygen atoms determine the angle-length-stiffness relaxation dynamics of the hydrogen bond (O:H-O), which is responsible for the density and phonon-stiffness osci…
Enhancement to the electrochemical performance of supercapacitor electrodes were realized by incorporating highly porous conductive polymer films prepared with solution-processed polyaniline. The resultant nanostructures contained characteristic pores measuring 30-150 nm. Such electrodes generated from a solution of p…
Active center engineering at atomic level is a grand challenge for catalyst design and optimization in many industrial catalytic processes. Exploring new strategies to delicately tailor the structures of active centers and bonding modes of surface reactive intermediates for nanocatalysts is crucial to high-efficiency…
In this Communication, we report fabrication of ultrabright water-dispersible silicon nanoparticles (SiNPs) with quantum yields (QYs) up to 75% through a novelly designed chemical surface modification. A simple one-pot surface modification was developed that improves the photoluminescent QYs of SiNPs from 8% to 75% an…
We use scanning tunneling microscopy and X-ray spectroscopy to characterize the atomic and electronic structure of boron-doped and nitrogen-doped graphene created by chemical vapor deposition on copper substrates. Microscopic measurements show that boron, like nitrogen, incorporates into the carbon lattice primarily i…
Surfaces with anisotropic wettability, widely found in nature, have inspired the development of one‐dimensional water control on surfaces relying on the well‐arranged surface features. Controlling the wetting behavior of organic liquids, especially the motion of oil fluid on surfaces, is of great importance for a broa…
Copper-based nanoparticles are an important class of materials with applications as catalysts, conductive inks, and antimicrobial agents. Environmental and safety issues are particularly important for copper-based nanomaterials because of their potential large-scale use and their high redox activity and toxicity repor…
Carbon nanotubes (CNT) have numerous industrial applications and may be released to the environment. In the aquatic environment, pristine or functionalized CNT have different dispersion behavior, potentially leading to different risks of exposure along the water column. Data included in this review indicate that CNT d…