Materials Literature
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We report on a comprehensive study of the growth of 5-nm-thick epitaxial Fe(001) films on Ag(001) substrates which are deposited on Fe-precovered GaAs(001) wafers. We characterize the films in situ by scanning tunneling microscopy, low-energy electron diffraction, X-ray photoelectron spectroscopy, and depth profiling…
The temperature dependences of the conductivity and magnetoconductivity of poly(3,4-ethylenedioxythiophene) doped with ${\mathrm{PF}}_{6}$ (room-temperature conductivity of 200--300 S/cm) have been studied; $\ensuremath{\sigma}(T)$ is weakly temperature dependent with the characteristic resistivity ratio ${\ensuremath…
We characterize the high-frequency asymptotic shape of the primary dielectric relaxation for four supercooled liquids: glycerol, propylene carbonate, D-propylene glycol and tricresyl phosphate. Two distinct power laws, with an exact relationship between their exponents, exist above the peak in the imaginary part of th…
We present here a scanning tunneling microscope study of the initial bonding structure and subsequent reaction mechanism of ${\mathrm{C}}_{2}{\mathrm{H}}_{2}$ with the Si(001) surface. Upon exposure of the sample at room temperature to 0.2 L of ${\mathrm{C}}_{2}{\mathrm{H}}_{2}$ (approximately 20% coverage) adsorption…
A quantitative theory of the kinematical diffraction of a plane wave by a carbon nanotube is developed. The formalism is based on the Cochran, Crick, and Vand theory of the diffraction by helical molecules. This leads to a closed-form expression of the diffracted amplitude produced by a single-wall tubule of arbitrary…
The single-crystal characterization of potassium disilver tetrathioarsenate(V), KAg2AsS4, was determined. The structure type for this phase has been observed previously. This structure contains AsV and AgI atoms tetrahedrally coordinated to sulfur atoms while K+ cations are surrounded by eight sulfur atoms in a compre…
Polyolefin/polystyrene (PS) blends are difficult to compatibilize using in situ reactive compatibilization techniques, because neither of these polymers has any functional groups that one can use in the formation of a copolymer from these polymer components. In this study, the Friedel–Crafts alkylation was realized in…
We report first-principles electronic-structure calculations of ${\mathrm{In}}_{2}{\mathrm{O}}_{3}$ using the discrete variational $X\ensuremath{\alpha}$ method on model clusters. The computation has been made up to the model cluster composed of 163 atoms in order to see the size effect. The In-O bond is found to be p…
We present ab initio local-density-functional calculations of the electronic structure of clean and hydrogenated diamond (110) surfaces. The clean surface relaxes to a structure where the chains in the first two planes are straightened so that the interatomic distances are shortened and the bond angles are increased.…
The electrical and electroluminescence characteristics of heterostructure systems containing thin films of visibly emitting silicon nanoparticles are shown to be controlled by carrier transport through the nanoparticulate films. A conduction mechanism encompassing both geometric and electronic effects most effectively…
The behavior of simple fluids under shear is investigated using molecular dynamics simulations. The simulated system consists of a fluid confined between two atomistic walls which are moved in opposite directions. Two approaches for shear flow simulations are compared: in one case, the sheared fluid is not thermostatt…
Detailed molecular mechanism of polymer crystallization into the chain folded lamella is investigated by molecular dynamics simulation. Though the crystallization of polymer is generally a very slow process that seems to defy every computational approach, simplifications of the computational model are found to improve…
Diamond exhibits very high, but widely varying, secondary-electron yields. In this study, we identified some of the factors that govern the secondary-electron yield from diamond by performing comparative studies on polycrystalline films with different dopants (boron or nitrogen), doping concentrations, and surface ter…
The delafossite-type ${\mathrm{CuFeO}}_{2}$ single crystal was studied by means of x-ray emission and x-ray photoelectron spectroscopy. The valence state of Cu ions was found to be $1+,$ whereas Fe ions were found to be trivalent in the high-spin $S=5/2$ state. The x-ray emission (Cu ${L}_{\ensuremath{\alpha}},$ Fe ${…
The local spin-density approximation+$U$ method has been applied to identify the origin of surface electronic states on the (100) surface of nickel monoxide. The results of ab initio calculations show a substantial reduction of the forbidden gap at the surface and point to the presence of two types of electronic state…
Argon gas was trapped at high pressure within hollow carbon tubes grown in vapor that have an outer diameter of between 20 and 150 nanometers. The gas was forced into the tubes by hot isostatically pressing (HIPing) the carbon material for 48 hours at 650°C under an argon pressure of 170 megapascals. Energy dispersive…
The electric field induced phase transition behavior of lead lanthanum zirconate titanate stannate (PLZTS) ceramics was investigated. PLZTS undergoes a tetragonal antiferroelectric (AFETet) to rhombohedral ferroelectric (FERh) phase transition with the application of an electric field. The volume increase associated w…
Through the use of relations analogous to that of the Rayleigh law, it is demonstrated that the ac electric field dependence of the permittivity of ferroelectric thin films can be described. It is further shown that both reversible and irreversible components of the permittivity decrease linearly with the logarithm of…
Macrostrain variations in engineering components are frequently examined using neutron diffraction, at both reactors and pulsed sources. It is desirable to minimize the sampling volume in order to maximize the spatial resolution, although this increases the required measurement time. At reactors, macrostrain behavior…
It is shown that at weak alternating stress the relationship between the piezoelectrically induced charge and applied stress in ferroelectric ceramics has the same form as the Rayleigh law for magnetization versus magnetic field in ferromagnetic materials. Applicability of the Rayleigh law to the piezoelectric effect…