Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
The relation between the fragility of glass-forming systems, a parameter which describes many of their key physical characteristics, and atomic scale structure is investigated by using neutron diffraction to measure the topological and chemical ordering for germania, or GeO(2), which is an archetypal strong glass form…
It is demonstrated that in a two-band two-dimensional system resonance state is manifested close to the energy of the Dirac point in the electron spectrum for a sufficiently large impurity perturbation. With increasing impurity concentration, the electron spectrum undergoes a rearrangement, which is characterized by t…
The adsorption of molecular hydrogen in the Prussian blue analogue Cu 3 [Co(CN) 6 ] 2 was investigated using high-resolution neutron powder diffraction and neutron vibrational spectroscopy. Rietveld structural refinement of the neutron data for hydrogen loadings of 1, 2, and ∼2.3 H 2 /Cu showed that the hydrogen was a…
ZnO has become the focus of photonics and optoelectronic research. We prepared pure Mn(II) doped ZnO nanowires with a controlled reduction reaction by carbon in an asymmetrical tube. Careful time-resolved photoluminescence experimental study indicates three types of lasing mechanisms: exciton-exciton interaction, bipo…
The photoinduced magnetism in manganese-tetracyanoethylene (Mn-TCNE) molecule-based magnets is ascribed to charge-transfer excitations from manganese to TCNE. Charge-transfer energies are calculated using Density Functional Theory; photoinduced magnetization is described using a model Hamiltonian based on a double-exc…
We reported aqueous solutions of poly(caprolactone- b -ethylene glycol- b -caprolactone) (PCL−PEG−PCL) that underwent sol−gel−sol transition as the temperature increased ( Macromolecules 2005, 38, 5260−5265). However, when the triblock copolymer aqueous solution (20 wt %), initially as a sol phase, was left at room te…
Zirconia (ZrO2) and hafnia (HfO2) are leading candidates for replacing SiO2 as the gate insulator in CMOS technology. Amorphous versions of these materials (a-ZrO2 and a-HfO2)) can be grown as metastable phases on top of a silicon buffer; while they tend to recrystallize during subsequent annealing steps, they would o…
Using a coarse molecular-dynamics (CMD) approach with an appropriate choice of coarse variable (order parameter), we map the underlying effective free-energy landscape for the melting of a crystalline solid. Implementation of this approach provides a means for constructing effective free-energy landscapes of structura…
The discrete vortex lattices in a ferromagnet/superconductor bilayer are studied when the ferromagnet has periodic stripe domains with an out-of-plane magnetization. The vortices are assumed to be situated periodically on chains in the stripe domains. Only up to two vortex chains per domain configurations are consider…
A general approach to calculate the diabatic surfaces for electron-transfer reactions is presented, based on first-principles molecular dynamics of the active centers and their surrounding medium. The excitation energy corresponding to the transfer of an electron at any given ionic configuration (the Marcus energy gap…
This article gives an overview of the available literature on simplified, well defined (quasi-)homogeneous laboratory samples. After more than 50 years of research on superconductivity in Nb3Sn, a significant amount of results are available, but these are scattered over a multitude of publications. Two reviews exist o…
We discuss the four-fold anisotropy of in-plane ferromagnetic resonance (FMR) field $H_r$, found in a square lattice of circular Permalloy dots when the interdot distance $a$ gets comparable to the dot diameter $d$. The minimum $H_r$, along the lattice $<11>$ axes, and the maximum, along the $<10>$ axes, differ by $\s…
We introduce a constrained energy functional to describe dielectric response. We demonstrate that the local functional is a generalization of the long-ranged Marcus energy. Our reformulation is used to implement a cluster Monte Carlo algorithm for the simulation of dielectric media. The algorithm avoids solving the Po…
We study the critical properties of a two--dimensional Ising model with competing ferromagnetic exchange and dipolar interactions, which models an ultra-thin magnetic film with high out--of--plane anisotropy in the monolayer limit. We present numerical evidence showing that two different scenarios appear in the model…
We calculate systematically the absolute volume deformation potential (AVDP) of the ${\ensuremath{\Gamma}}_{8v}$ valence band maximum (VBM) and the ${\ensuremath{\Gamma}}_{6c}$ conduction band minimum (CBM) states for all group IV, III-V, and II-VI semiconductors. Unlike previous calculations that involve various assu…
Much smoother surfaces and significantly improved superconducting properties of relatively thick YBa2Cu3O7 (YBCO) films have been achieved by introducing a multilayered structure with alternating main YBCO and additional NdBCO layers. The surface of thick (1 microm) multilayers has almost no holes compared to YBCO fil…
The theoretical analysis of the process of diffusion of interstitial oxygen atoms and hydrogen molecules in silicon and germanium crystals has been performed. The calculated values of the activation energy and pre-exponential factor for an interstitial oxygen atom Ea(Si) = 2.59 eV, Ea(Ge) = 2.05 eV, D(Si)= 0.28 cm2s-1…
Using different segmental dynamics and relaxation, characteristics of the interface growth is examined in an electrophoretic deposition of polymer chains on a three (2+1) dimensional discrete lattice with a Monte Carlo simulation. Incorporation of faster modes such as crankshaft and reptation movements along with the…
Characteristics of relaxed density profile and conformation of polymer chains are studied by a Monte Carlo simulation on a discrete lattice in three dimensions using different segmental (kink-jump $K$, crank-shaft $C$, reptation $R$) dynamics. Three distinct density regimes, substrate, bulk, and interface, are identif…
The specific heats of three samples of Na0.35CoO2,1.3H2O show an evolution of the superconductivity, and its ultimate disappearance, with increasing sample age. An overall increase in pair-breaking action, which occurs preferentially in an electron band with a small energy gap, produces a shift in the relative contrib…