Materials Literature
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Using first-principles calculations based on the density-functional theory, we perform a detailed study of the dihydrogen $({\mathrm{H}}_{2})$ binding in cis- and trans-polyacetylene decorated with transition metal atoms. First, we investigate the origin of metal-dihydrogen bonding and observe the hybridization of ${e…
We perform molecular dynamics simulations of water using the five-site transferable interaction potential (TIP5P) model to quantify structural order in both the first shell (defined by four nearest neighbors) and second shell (defined by twelve next-nearest neighbors) of a central water molecule. We find that the anom…
The temperature-dependent molecular chain movements and transitions of polystyrene- block -poly(ethylene- co -1-butene)- block -polystyrene block copolymer (SEBS) above room temperature were studied by in-site infrared spectroscopy combined with moving-window two-dimensional (MW2D) correlation spectroscopy. Some compl…
Spintronics refers commonly to phenomena in which the spin of electrons in a solid state environment plays the determining role. In a more narrow sense spintronics is an emerging research field of electronics: spintronics devices are based on a spin control of electronics, or on an electrical and optical control of sp…
In this work, it is shown that the common toxicity indicator, MTT (3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyltetrazolium bromide), will fail to predict the toxicity of porous silicon (PSi) microparticles. This is due to the spontaneous redox reactions where the MTT is reduced and the PSi particle surfaces are oxidized…
Two experimental studies shed light on the dynamic behavior of the defects created by radiation damage in materials.
We report on a healing of defects at room temperature in the organic semiconductor pentacene. This peculiar effect is a direct consequence of the weak intermolecular interaction which is characteristic of organic semiconductors. Pentacene thin-film transistors were fabricated and characterized by in situ gated four-te…
The thermodynamics and kinetics of tip-induced polarization switching in Piezoresponse Force Microscopy in the presence of surface charge defects is studied using the combination of analytical and numerical techniques. The signature of the defects in hysteresis loop fine structure and Switching Spectroscopy PFM images…
We have studied the temperature dependence of the photoemission spectra of ${\mathrm{Pr}}_{1\ensuremath{-}x}{\mathrm{Ca}}_{x}\mathrm{Mn}{\mathrm{O}}_{3}$ (PCMO) with $x=0.25$, 0.3, and 0.5. For $x=0.3$ and 0.5, we observed a gap in the low-temperature charge-exchange-type charge-ordered (CO) phase and a pseudogap with…
We use resonant soft-x-ray scattering (RSXS) to study the electronic reconstruction at the interface between the Mott insulator LaMnO3 and the band insulator SrMnO3. Superlattices of these two insulators were shown previously to have both ferromagnetism and metallic tendencies [Koida, Phys. Rev. B 66, 144418 (2002)10.…
The uniaxial negative thermal expansion in pentacene crystals along $a$ is a particularity in the series of the oligoacenes and is exceptionally large for a crystalline solid. Full x-ray structure analysis from $120\phantom{\rule{0.3em}{0ex}}\text{to}\phantom{\rule{0.3em}{0ex}}413\phantom{\rule{0.3em}{0ex}}\mathrm{K}$…
Based on fully microscopic kinetic spin Bloch equation approach, we show the non-Markovian effect in spin dephasing of heavy holes in $p$-type GaAs quantum wells. The non-Markovian effect manifests itself in spin dephasing when the mean spin precession time is shorter than the momentum relaxation time. The spin dephas…
Resonant X-ray scattering (RXS) is a spectroscopy where both the power of site selective diffraction and the power of local absorption spectroscopy regarding atomic species are combined. By virtue of the dependence on the core level state energy and the three dimensional electronic structure of the intermediate state,…
We obtain analytical expressions for the electron self-energy and the electron-phonon coupling in electron-doped graphene using electron-phonon matrix elements extracted from density functional theory simulations. From the electron self-energies we calculate angle-resolved photoemission spectra (ARPES). We demonstrate…
A greener method to fabricate novel core (Fe and Cu)-shell (noble metals) metal nanocrystals using aqueous ascorbic acid (vitamin C) is described. Transition metal salts such as Cu and Fe were reduced using ascorbic acid, a benign naturally available antioxidant, and then addition of noble metal salts resulted in the…
Uncooled infrared bolometer arrays have become the technology of choice for low-cost infrared imaging systems used in applications such as thermography, firefighting, driver night vision, security and surveillance. Uncooled infrared bolometer arrays are reaching performance levels which previously only were possible w…
Dislocations are ubiquitous linear defects and are responsible for many of the properties of crystalline materials. Studies on the glide process of dislocations in bulk materials have mostly focused on the response of dislocations with macroscopic lengths to external loading or unloading. Using in situ transmission el…
We compared the depths of penetration into a semi-infinite shield by a monolithic striker and by a sequence of several segments having the same total mass (a segmented impactor). It is assumed that the striker and the segments do not experience deformation during their penetration. The comparison is based on two appro…
A detailed study of the hole transporting property and stability of the liquid-formed glassy film of a traditional hole transporting material N, N ‘-diphenyl- N, N ‘-bis(3-methylphenyl)benzidine (TPD) prepared by rapid cooling of the melt was carried out. The film obtained via supercooled liquid by a rapid-cooling met…
Barium gallogermanate (BGG) glasses are currently being explored as a viable low cost material for numerous U.S. defense and commercial visible-infrared window applications. These glasses are transparent from 0.4 mum to beyond 5.0 mum and can be easily made in large optics and complex shapes with high index homogeneit…