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 crystal structures, filling fraction limits (FFLs), electronic structures, and electrical transport properties for alkali-metal-filled $\mathrm{Co}{\mathrm{Sb}}_{3}$ skutterudites are studied using density functional band-structure calculations. The calculated FFLs in $\mathrm{Co}{\mathrm{Sb}}_{3}$ are more than 6…
Magnetotransport and magnetocaloric properties of polycrystalline Pr0.65(Ca0.7Sr0.3)MnO3 have been studied. Large low field magnetoresistance (∼100% at 75K for 1T field) with high magnetic field sensitivity (∼5000%T−1) has been observed due to the melting of charge ordered state. The system also shows large magnetocal…
Single- and multiphase samples of the n-type half-Heusler NbCoSn were prepared by directional solidification using the optical floating zone melting method, and the thermoelectric properties of these samples were evaluated. NbCoSn has an excellent thermoelectric power which exceeds −250μVK−1 at around 900K and a relat…
An Aurivillius phase bismuth layer‐structured compound potassium bismuth titanate is synthesized using conventional solid‐state processing. It was found that the range of sintering temperature for the potassium bismuth titanate is very narrow. Phase analysis was performed by X‐ray diffraction, and microstructural morp…
Volume 4 focuses on the vibrant research area centering around Biomineralization and its role in Nature and in biomimetic applications. With nearly 2700 references, 14 tables, and more than 140 illustrations, it is an essential resource for scientists working in the wide range from material sciences and inorganic bioc…
A promising way to improve the performance of piezoelectric ceramics is grain orientation by templated grain growth. In this work lead‐based piezoelectric ceramics Pb(Mg 1/3 Nb 2/3 ) 0.68 Ti 0.32 O 3 (PMN–32PT) and Pb(Mg 1/3 Nb 2/3 ) 0.42 (Ti 0.638 Zr 0.362 ) 0.58 O 3 (PMN–37PT–21PZ) ceramics were textured via templat…
Lead-free, piezoelectric thick films of 0.948(K0.5Na0.5)NbO3–0.052LiSbO3 were fabricated by aerosol deposition and the effect of postannealing temperature on the dielectric, ferroelectric, and piezoelectric properties was investigated. The thickness of the films ranged from 5to17μm and highly dense films were obtained…
We report on low temperature photoluminescence studies of ZnO nanowires embedded in different polymers. Comparing the spectra of as-grown and embedded ZnO nanowires, we find a decrease of the deep-level emission and an increase of the near band-edge emission after the embedding process. The near band-edge emission of…
UNLABELLED: Progress in structural biology depends on several key technologies. In particular tools for alignment and superposition of protein structures are indispensable. Here we describe the use of the TopMatch web service, an effective computational tool for protein structure alignment, for the visualization of st…
Optical control of the lateral quantum confinement and number of electrons confined in nanofabricated GaAs/AlGaAs quantum dots is achieved by illumination with a weak laser beam that is absorbed in the AlGaAs barrier. Precise tuning of energy-level structure and electron population is demonstrated by monitoring the lo…
The performance of field effect transistors based on an single graphene ribbon with a constriction and a single back gate are studied with the help of atomistic models. It is shown how this scheme, unlike that of traditional carbon-nanotube-based transistors, reduces the importance of the specifics of the chemical bon…
A method for optical beam focusing by a single subwavelength metal slit surrounded by surface gratings is proposed. In our proposed method, the period of each surface grating is chirped so that the radiation fields of surface plasmon polaritons can be controlled to make a beam spot at the desired focal length. Through…
We perform density matrix renormalization group (DMRG) calculations extensively on one-dimensional chains with on site (U) as well as nearest neighbour (V) Coulomb repulsions. The calculations are carried out in full parameter space with explicit inclusion of the static bias and we compare the nature of spin density w…
We have derived consistent sets of band parameters (band gaps, crystal field-splittings, band gap deformation potentials, effective masses, Luttinger and EP parameters) for AlN, GaN, and InN in the zinc-blende and wurtzite phases employing many-body perturbation theory in the G0W0 approximation. The G0W0 method has be…
The results of an extensive investigation of structure, surface morphology, composition and the superconducting-normal phase diagram of a new unconventional superconductor LaAg1-cMnc with nominal composition c = 0.0, 0.025, 0.05, 0.1, 0.2 and 0.3, reveal the following. The alloys with c = 0, 0.025 and 0.05 are essenti…
The structure of amorphous ${\mathrm{Ge}}_{2}{\mathrm{Sb}}_{2}{\mathrm{Te}}_{5}$ and $\mathrm{Ge}{\mathrm{Sb}}_{2}{\mathrm{Te}}_{4}$ phase-change alloys was investigated by high energy x-ray diffraction, extended x-ray-absorption fine structure, and neutron diffraction. The reverse Monte Carlo simulation technique was…
We show that two graphene layers stacked directly on top of each other ($AA$ stacking) form strong chemical bonds when the distance between planes is $0.156\phantom{\rule{0.3em}{0ex}}\mathrm{nm}$. Simultaneously, C--C in-plane bonds are considerably weakened from partial double bond $(0.141\phantom{\rule{0.3em}{0ex}}\…
Quantum Monte Carlo (QMC) methods have been used to obtain accurate binding-energy data for pairs of parallel thin metallic wires and layers modeled by 1D and 2D homogeneous electron gases. We compare our QMC binding energies with results obtained within the random phase approximation, finding significant quantitative…
We report all-electron and pseudopotential calculations of the ground-stateenergies of the neutral Ne atom and the Ne+ ion using the variational and diffusion quantum Monte Carlo (DMC) methods. We investigate different levels of Slater-Jastrow trial wave function: (i) using Hartree-Fock orbitals, (ii) using orbitals o…
We report quantum Monte Carlo (QMC), plane-wave density-functional theory (DFT), and interatomic pair-potential calculations of the zero-temperature equation of state (EOS) of solid neon. We find that the DFT EOS depends strongly on the choice of exchange-correlation functional, whereas the QMC EOS is extremely close…