Materials Literature
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In this paper, 200 years of modeling crystal growth and morphology are reviewed. From the discovery of the law of rational indices, the interplanar distance law of Bravais, Friedel, Donnay, and Harker, to more structural theories such as the Hartman−Perdok theory, as well as statistical mechanical cell models, we arri…
Molecular dynamics simulations of nanoscratching are performed with emphasis on the correlation between the scratching conditions and the defect mechanism in the substrate. More than six million atoms are described by the embedded atom method (EAM) potential. The scratching process is simulated by high-speed ploughing…
Abstract Surface‐enhanced resonance Raman spectroscopy (SERRS) was used for the semi‐quantitative analysis of the anthraquinone dyes alizarin and purpurin, using aggregated citrate‐reduced silver colloids. Laser excitation wavelengths of 514.5 and 632.8 nm were employed. The limits of detection for the analysis of ali…
We demonstrate a simple method to direct the self-assembly of ZnO nanorods on flat and curved surfaces in hydrothermal synthesis by precoating the substrate with a thin film of aluminum (Al). The Al was transformed in the alkali hydrothermal environment into hydrotalcite-like zinc aluminum carbonate sheets, which prov…
Measurements of average velocity profiles in a bubble raft subjected to slow, steady shear demonstrate the coexistence between a flowing state and a jammed state similar to that observed for three-dimensional foams and emulsions [P. Coussot et al., Phys. Rev. Lett. 88, 218301 (2002)]. For sufficiently slow shear, the…
The total biological synthesis of SrCO3 crystals of needlelike morphology arranged into higher order quasi-linear superstructures by challenging microorganisms such as fungi with aqueous Sr2+ ions is described. We term this procedure "total biological synthesis" since the source of carbonate ions that react with aqueo…
High-quality tetrapod-like ZnO (T-ZnO) nanocrystals were synthesized by a modified vapor transport process. NiO nanocrystals were prepared on a Si substrate as a catalyst. High-yield zinc vapor was produced by a carbothermal reduction of zinc carbonate to promote the synthesis of T-ZnO nanocrystals. The as-grown T-ZnO…
We demonstrate the bulk synthesis of single crystalline Cu-doped ZnO nanowires using (CuI+ZnI 2 ) powders at 600 °C. These mass nanowires are characterized through x-ray diffraction, scanning electron microscopy, energy dispersive x-ray spectroscopy, transmission electron microscopy (TEM), selected area electron diffr…
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.…