Materials Literature
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Using an oblique-incidence optical reflectivity difference technique, we investigated kinetic processes in SrTiO3 homoepitaxy on SrTiO3(001) under pulsed-laser deposition conditions. Depending upon growth temperature and oxygen ambient pressure, we found that the oxidation of an as-grown SrTiO3 monolayer may take a mu…
We find that a system of particles interacting through a simple isotropic potential with a softened core is able to exhibit a rich phase behavior including: a liquid-liquid transition in the supercooled phase, as has been suggested for water, a gas-liquid-liquid triple point, a freezing line with anomalous reentrant b…
Structural, transport, and magnetic measurements on the system ${\mathrm{Sr}}_{2}{\mathrm{FeMo}}_{1\ensuremath{-}x}{\mathrm{W}}_{x}{\mathrm{O}}_{6}$ $(0<~x<~1)$ have been used to monitor the transition from itinerant-electron ferromagnetism in ${\mathrm{Sr}}_{2}{\mathrm{FeMoO}}_{6}$ to localized-electron antifer…
The low-temperature phase coexistence of size-asymmetric primitive model electrolyte solutions has been investigated by means of Monte Carlo simulations. A multidimensional parallel tempering method is employed and results are analyzed by means of histogram reweighting. Coexistence curves and critical constants are de…
We calculate the optical conductivity of one-dimensional Mott insulators at low energies using a field theory description. The square root singularity at the optical gap, characteristic of band insulators, is generally absent and appears only at the Luther-Emery point. We also show that only few particle processes con…
The electronic and structural properties of two different edge terminations in normal graphite layer edges were investigated at atomic resolution using scanning tunneling microscopy (STM) and electronic band structure calculations. An emphasis is placed on distinguishing the electronic structure of [1,1,2̄,0] (“armcha…
The influence of the film–electrode interface on the ac-electric field dependence of the dielectric permittivity in ferroelectric thin-film heterostructures has been studied. The dielectric nonlinearities in epitaxial thin-film heterostructures of ferroelectric PbZr0.65Ti0.35O3 and relaxor ferroelectric (PbMg1/3Nb2/3O…
New tetragonal phases of crystalline carbon nitride (CN) and their atomic structures have been identified using a self-consistent-charge density-functional tight-binding method. A tetragonal rocksalt structure provides theoretical support to recent experimental evidence for a stoichiometric CN phase with tetragonal sy…
LaFe 0.5 Mn 0.5 O 3 solid solution films have been formed on SrTiO3 (111) substrates using a pulsed laser deposition technique and their magnetic properties have been examined. The films showed ferromagnetic (or ferromagnetic) behavior with a Curie temperature of 380 K and the saturation magnetization was estimated to…
Kapton polyimide is known for its high thermal stability, >400 °C. Copper sulfide thin films of 75 and 100 nm thickness were coated on DuPont Kapton HN polyimide foils of 25 µm thickness by floating them on a chemical bath containing copper complexes and thiourea. The coated foils were annealed at 150-400 °C in nitrog…
${\mathrm{CrO}}_{2}$ cold-pressed powder compacts show different electronic transport property than the single crystals. We have analyzed the temperature dependence of the conductance and magnetoresistance (MR) of cold-pressed compacts of ${\mathrm{CrO}}_{2}$ powders. Our results show that there exist two channels of…
Experimental measurements are presented of the hole mobilities of four conjugated discotic systems, forming columnar liquid crystals, as a function of temperature. The measurements cover the crystalline/glassy phase and mesophase of these materials. It is a remarkable fact that the mobility is almost independent of te…
We present a first-principles study of the structure and quantum electronic conductance of junctions consisting of two crossed (5,5) single-walled carbon nanotubes. The structures are determined by constrained minimization of total energy at a given force between the two tubes, simulating the effects of substrate-tube…
Two-dimensional heterostructures have been exploited extensively in the synthesis of optoelectronic devices. Structures with small lattice mismatch can be synthesized readily. Large lattice mismatch in II–VI film heterostructures makes synthesis of devices with these materials more difficult. However, these large mism…
We show that the prediction of mode-coupling theory for a model of a network-forming strong glass former correctly describes the wave-vector dependence of the Debye-Waller factor. To obtain a good description it is important to take into account the triplet correlation function c(3), which we evaluate from a computer…
A bilayered quasiplanar metallic microstructure, comprising an ensemble of fully metallic “molecules” with inductive coupling between two parts of the molecule, is predicted to show strong optical rotatory power.
We have epitaxially grown Ba0.6Sr0.4TiO3 (BST-0.4) thin films on MgO(001) substrates. By inserting a very thin Ba1−xSrxTiO3 (x=0.1–0.7) interlayer between the MgO substrate and the main layer of BST-0.4, we are able to manipulate the degree of the stress in BST-0.4 films. We have controlled the stress states, i.e., th…
Optical absorption properties of n-type In-doped ZnO films were investigated by spectroscopic ellipsometry for varying carrier concentration. The fundamental optical band gap (E0) edge of the compound showed a blueshift below the carrier concentration n0=5×1019 cm−3, which can be explained in terms of the Burstein–Mos…
We report reactive Monte Carlo (RMC) simulations of reaction equilibria for both the nitric oxide dimerization and the ammonia synthesis reactions. We have applied the RMC technique to both a single bulk phase and also to a two-phase system, composed of the bulk gas and a slit-shaped pore, with pore parameters chosen…
We report a spectacularly high orbital/charge ordering temperature ${T}_{\mathrm{CO}}=475\mathrm{K},$ in ${\mathrm{Bi}}_{1/2}{\mathrm{Sr}}_{1/2}{\mathrm{MnO}}_{3}.$ The charges order approximately $350\mathrm{K}$ above the temperature predicted by the bandwidth tuning mechanism in the ${\mathrm{Ln}}_{1/2}(\mathrm{C}\m…