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。
We present the one-dimensional Korringa–Kohn–Rostoker (KKR) method with the aim of elucidating its linear features, particularly important in optimizing the numerical algorithms in energy band computations. The conventional KKR equations based on multiple scattering theory as well as novel forms of the secular matrix…
Ferroelectric properties of dense nanocrystalline BaTiO3 ceramics, Maria Teresa Buscaglia, Vincenzo Buscaglia, Massimo Viviani, Jan Petzelt, Maxim Savinov, Liliana Mitoseriu, Andrea Testino, Paolo Nanni, Catalin Harnagea, Zhe Zhao, Mats Nygren
A systematic investigation of the low-temperature magnetic properties of $\mathrm{La}\mathrm{Co}{\mathrm{O}}_{3}$ has demonstrated a ferromagnetism with ${T}_{c}\ensuremath{\approx}85\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ from surface cobalt atoms. The experimental investigation involved comparison of the magnetic sus…
Magnetic ordering in ${\mathrm{TbMnO}}_{3}$ was revisited by a neutron diffraction study. In addition to the previously reported $A$-type and $G$-type modulated structures with a propagation vector $(0,{q}_{\mathrm{Mn}},0)$, we found $C$-type and $F$-type orderings of the $\mathrm{Mn}$ moments. All the components appe…
A general systematic method of predicting hypothetical crystal structures could enable important advances in many areas of science. We describe a recently developed approach based on graph theory and density functional theory and apply it to enumerate systematically a number of $s{p}^{3}$-hybridized carbon polymorphs…
The electronic structures of Mn-doped zincblende GaAs and wurtzite GaN are calculated using both standard local-density functional theory (LSDA), and a novel pseudopotential self-interaction-corrected approach (pseudo-SIC), able to account for the effects of strong correlation. We find that, as expected, the self-inte…
Using density functional theory, we investigate the equilibrium structure, stability, and electronic properties of nanostructured, hydrogen-terminated diamond fragments. The equilibrium atomic arrangement and electronic structure of these nanostructures turn out to be very similar to bulk diamond. We find that such di…
The thermal conductivity of isotopically enriched 28Si (enrichment better than 99.9%) was redetermined independently in three laboratories by high precision experiments on a total of 4 samples of different shape and degree of isotope enrichment in the range from 5 to 300 K with particular emphasis on the range near ro…
We study the interaction of electrons with phonons in strongly correlated solids, having high-T_c cuprates in mind. Using sum-rules, we show that the apparent strength of this interaction strongly depends on the property studied. If the solid has a small fraction (doping) delta of charge carriers, the influence of the…
La2/3Ca1/3MnO3 thin films have been grown on yttria-stabilized zirconia (YSZ) buffered silicon-on-insulator (SOI) substrate by the pulsed laser deposition technique. While full cube-on-cube epitaxy was achieved for the YSZ layer, the top manganite layer was multi-domain-oriented, with a coexistence of cube-on-cube and…
Using a density matrix formulation for the effective action, we obtain a set of macroscopic equations that describe spin accumulation in a non-homogeneous ferromagnet. We give a new expression for the spin current which extends previous work by taking into account the symmetry of the ferromagnetic state through a care…
Abstract The description and identification of corrosion products formed on archaeological iron artefacts need various approaches at different observation scales. For this study, samples from five sites were prepared using two techniques. The first consists in cutting cross‐sections perpendicular to corrosion layers.…
The layered sodium cobalt oxide ${\mathrm{Na}}_{x}{\mathrm{CoO}}_{2}$ is studied by electron diffraction for a wide range of sodium contents, $0.15<x<0.75$. An extensive series of ordered $\mathrm{Na}$ ion-$\mathrm{Na}$ vacancy superlattices is found beyond the simple hexagonal average structure. The most strong…
The Seebeck coefficient of a metal is expected to display a linear temperature dependence in the zero-temperature limit. To attain this regime, it is often necessary to cool the system well below 1 K. We put under scrutiny the magnitude of this term in different families of strongly interacting electronic systems. For…
We present results on numerical simulations of an atomistic system undergoing plastic shear flow in the athermal, quasistatic limit. The system is shown to undergo cascades of local rearrangements, associated with quadrupolar energy fluctuations, which induce system-spanning events organized into lines of slip oriente…
SBA-16 mesoporous silicas with cubic Im 3 m structure were synthesized using Pluronic F127 poly(ethylene oxide)−poly(propylene oxide)−poly(ethylene oxide) triblock copolymer (EO 106 PO 70 EO 106 ) and its blends with Pluronic P123 triblock copolymer (EO 20 PO 70 EO 20 ) as supramolecular templates. The resulting mater…
The thermal and catalytic decomposition of urea over a fixed-bed flow reactor system has been examined for the selective catalytic reduction (SCR) of NO x from mobile sources. The conversion of urea into NH 3 and HNCO, the two major products from the thermal decomposition of urea, increased with the reaction temperatu…
Nanoparticles may contain unusual forms of structural disorder that can substantially modify materials properties and thus cannot solely be considered as small pieces of bulk material. We have developed a method to quantify intermediate-range order in 3.4-nanometer-diameter zinc sulfide nanoparticles and show that str…
Atrial Fibrillation Atrial fibrillation (AF), the chaotic and disorganized activity of the upper chambers of the heart, is the most common cardiac rhythm disturbance. It affects approximately 1% of the US population, or almost three million people. It occurs more frequently in the aged, affecting about 5% of people ov…
Americanae nace como un proyecto conjunto que surge dentro de la Red Europea de Información y Documentación sobre América Latina (REDIAL), y que ha afrontado la Biblioteca de la Agencia Española de Cooperación Internacional para el Desarrollo (AECID). Esta nueva biblioteca virtual hace más accesibles los libros digita…