Materials Literature
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Recently, significant research efforts have been made to develop complex nanostructures to provide more sophisticated control over the optical and electronic properties of nanomaterials. However, there are only a handful of semiconductors that allow control over their geometry via simple chemical processes. Herein, we…
Epitaxial films and ordered arrays of submicron structures of nickel and cobalt ferrites were deposited on Nb doped SrTiO3 by pulsed laser deposition. X-Ray diffraction and atomic force microscopy showed that the films have a good crystalline quality and smooth surfaces. A larger number of phonon bands was observed in…
Here, we report the shape-controlled synthesis of tripodal and triangular gadolinium oxide (Gd2O3) nanoplates. In the presence of lithium ions, the shape of the nanocrystals is readily controlled by tailoring reaction parameters such as temperature and time. We observe that the morphology transforms from an initial tr…
The phonon spectrum of cubic BaThO$_3$ with the perovskite structure is calculated from first principles within the density functional theory. The analysis of unstable modes in the phonon spectrum enables to determine the symmetry of all possible distorted phases, calculate their energies, and show that the ground-sta…
The complex metal oxides Ni 2 InSbO 6 (NISO) and Ni 2 ScSbO 6 (NSSO) have been prepared in the form of polycrystalline powders by a solid state reaction route. The crystal structure and magnetic properties of the compounds were investigated using a combination of X-ray and neutron powder diffraction, electron microsco…
We present the application of a fast quasi-adiabatic continuous method to the measurement of specific heat at 4He temperatures, which can be used for the study of a wide range of materials. The technique can be performed in the same configuration used for the relaxation method, as the typical time constants between ca…
We report high-resolution angle-resolved photoemission studies of epitaxial thin films of the correlated 4d transition metal oxide ferromagnet SrRuO(3). The Fermi surface in the ferromagnetic state consists of well-defined Landau quasiparticles exhibiting strong coupling to low-energy bosonic modes which contributes t…
Thomas-Fermi model is applied to describe some basic properties of a negative hydrogen ion in a strong electric field. The equilibrium ionic size, energy and polarizability of the ion are calculated. Collective modes of the dipole oscillations are regarded. A barrier, due to which the ion is in a stable state, is stud…
Isolated kinks on thermally fluctuating $1/2\ensuremath{\langle}111\ensuremath{\rangle}$ screw, $\ensuremath{\langle}100\ensuremath{\rangle}$ edge, and $1/2\ensuremath{\langle}111\ensuremath{\rangle}$ edge dislocations in bcc iron are simulated under zero stress conditions using molecular dynamics (MD). Kinks are seen…
We show how machine learning techniques based on Bayesian inference can be used to reach new levels of realism in the computer simulation of molecular materials, focusing here on water. We train our machine-learning algorithm using accurate, correlated quantum chemistry, and predict energies and forces in molecular ag…
This letter provides evidence for intrinsic longitudinal spin Seebeck effects (LSSEs) that are free from the anomalous Nernst effect (ANE) caused by an extrinsic proximity effect. We report the observation of LSSEs in Au/Y3Fe5O12 (YIG) and Pt/Cu/YIG systems, showing that LSSE appears even when the mechanism of the pro…
We present a technique for extracting Raman intensities from ab initio molecular dynamics (MD) simulations at high temperature. The method is applied to the highly anharmonic case of dense hydrogen up to 500 K for pressures ranging from 180 GPa to 300 GPa. On heating or pressurizing we find first-order phase transitio…
Symmetry breaking is a central concept of Landau phase transition theory, which, however, only considers time-averaged static symmetry of crystal lattice while neglects dynamic symmetry of lattice vibrations thus fails to explain the ubiquitous transformation precursor phenomena. We show that incomplete phonon softeni…
In Raman spectroscopy of graphite and graphene, the D band at ∼ 1355 cm−1 is used as the indication of the dirtiness of a sample. However, our analysis suggests that the physics behind the D band is closely related to a very clear idea for describing a molecule, namely bonding and antibonding orbitals in graphene. In…
SnO2 and TiO2 polymorphs (rutile and anatase) are oxides with similar crystal structures, comparable bond lengths, and electronic band-gap energies, but different optical and electronic properties. In this work, we have studied the origin of these differences from the band-edge structures and electron-phonon coupling.…
A plasmonic electrochromic effect in which electrochemical doping reversibly modulates near-infrared surface plasmon absorption of aluminium-doped zinc oxide and tin-doped indium oxide nanocrystals is reported. Optical performance, switching kinetics, and cycling durability point to high-performance NIR selective plas…
Graphene quantum dots (GQDs) have recently emerged as a promising type of low‐toxicity, high‐biocompatibility, and chemically inert fluorescence probe with a high resistance to photobleaching. They are a prospective substitution for organic materials in light‐emitting devices (LED), enabling the predicted concept of m…
A frequently stated advantage of gapless graphene is its high carrier mobility. However, when a nonzero bandgap is opened, the mobility drops dramatically. The hardness to achieve high mobility and large on∕off ratio simultaneously limits the development of graphene electronics. To explore the underlying mechanism, we…
Magnetite (Fe 3 O 4 ) nanoparticles are proper materials for Magnetic Fluid Hyperthermia applications whenever these conjugate stability at physiological (neutral pH) medium and high specific dissipation power. Here, magnetite nanoparticles 9–12 nm in size, electrostatically stabilized by citric acid coating, with hyd…
Self-assembled plasmonic nanoring cavity arrays are formed alongside the curvature of highly packed metallic nanosphere gratings. The sub-10-nm gap size is precisely tuned via atomic layer deposition and highly ordered arrays are produced over a cm-sized area. The resulting hybrid nanostructure boosts coupling efficie…