Materials Literature
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The structural, electronic and magnetic properties of the Kondo-lattice system CeRuSi2 are experimentally investigated and analyzed in the series of other ternary cerium compounds. This system is shown to be an excellent model system demonstrating coexistence of the Kondo effect and anomalous ferromagnetism with a sma…
We report the frequency dependence of the spin current emission in a hybrid ferrimagnetic insulator/normal metal system as function of the insulating layer thickness. The system is based on a yttrium iron garnet (YIG) film [0.2, 1, and 3 μm] grown by liquid-phase-epitaxy coupled with a spin current detector of platinu…
A unified approach is used to study vibrational properties of periodic systems with first-principles methods and including anharmonic effects. Our approach provides a theoretical basis for the determination of phonon-dependent quantities at finite temperatures. The low-energy portion of the Born-Oppenheimer energy sur…
Abstract Near‐field enhanced bifunctional plasmonic‐magnetic (PM) nanostructures consisting of silica nanotubes with embedded solid nanomagnets and uniformly dual‐surface‐coated plasmonic Ag nanoparticles (NPs) are rationally synthesized. The solid embedded sections of nanotubes provide single‐molecule sensitivity wit…
Shaped colloids can be used as nanoscale building blocks for the construction of composite, functional materials that are completely assembled from the bottom up. Assemblies of noble metal nanostructures have unique optical properties that depend on key structural features requiring precise control of both position an…
We have synthesized epitaxial Sr2IrO4 thin-films on various substrates and studied their electronic structure as a function of lattice-strain. Under tensile (compressive) strain, increased (decreased) Ir-O-Ir bond-angle is expected to result in increased (decreased) electronic bandwidth. However, we have observed that…
Emerging resistive-crossbar memory (RCM) technology can be promising for computationally-expensive analog pattern-matching tasks. However, the use of CMOS analog-circuits with RCM would result in large power-consumption and poor scalability, thereby eschewing the benefits of RCM-based computation. We propose the use o…
Aiming to remedy the incorrect asymptotic behavior of conventional semilocal exchange-correlation (XC) density functionals for finite systems, we propose an asymptotic correction scheme, wherein an exchange density functional whose functional derivative has the correct (-1/r) asymptote can be directly added to any sem…
Magnetoelectric, dielectric, and magnetic susceptibility tensors of multiferroic TbMnO3 with cycloidal antiferromagnetic structure in external electric and magnetic fields have been investigated with taking into account dynamics of spin, electro-dipole, and acoustic subsystems. All components of tensors depend on valu…
We demonstrate the growth of Co-doped BaFe2As2 (Ba-122) thin films on CaF2 (001), SrF2 (001), and BaF2 (001) single crystal substrates using pulsed laser deposition. All films are grown epitaxially despite of a large misfit of −10.6% for BaF2 substrate. For all films, a reaction layer is formed at the interface confir…
Based on the semiclassical model Hamiltonian of the surface plasmon polariton and the nonequilibrium Green-function approach, we present a microscopic kinetic theory to study the influence of the electron scattering on the dynamics of the surface plasmon polariton in semiconductor nanowires. The damping of the surface…
This paper studies how solute segregation and its relationship to grain boundary energy in binary alloys is captured in the phase field crystal (PFC) formalism, a continuum method that incorporates atomic scale elasto-plastic effects on diffusional time scales. Grain boundaries are simulated using two binary alloy PFC…
Ferropericlase (Mg,Fe)O is a major lower mantle mineral, and studying its properties is a fundamental step toward understanding the Earth's interior. Here, we performed a first-principles investigation on the properties of iron as an isolated impurity in magnesium oxide, which is the condition of ferropericlase under…
We identify an intriguing feature of the electron-vibrational dynamics of molecular systems via a computational examination of \emph{trans}-polyacetylene oligomers. Here, via the vibronic interactions, the decay of an electron in the conduction band resonantly excites an electron in the valence band, and vice versa, l…
The foundation of continuum elasticity theory is based on two general principles: (i) the force felt by a small volume element from its surrounding acts only through its surface (the Cauchy principle, justified by the fact that interactions are of short range and are therefore localized at the boundary); (ii) the stre…
It is shown that the electron spin may not be conserved after a spin-independent scattering. This fact strongly limits the validity of the classical model of spin-up/spin-down bands, which has been used for description of magnetic properties of conduction electrons. It is shown that it is possible to divide all conduc…
Previously, we reported gold nanoparticles coated with semifluorinated ligands self-assembled into gold nanoparticle vesicles (AuNVs) with a sub-100 nm diameter in tetrahydrofuran (THF). (1) Although this size is potentially useful for in vivo use, the biomedical applications of AuNVs were limited, as the vesicular st…
Single-molecule magnets: Straightforward oxidation of a triamidoamine uranium(III) complex with trimethyl-N-oxide affords a uranium(V) terminal mono-oxo complex which is the first clear-cut example of a uranium(V) single-molecule magnet (SMM). This monometallic complex unambiguously shows that a strongly axially ligat…
Inelastic neutron scattering measurements of individual phonon lifetimes and dispersion at 295 and 1200 K have been used to probe anharmonicity and thermal conductivity in UO2. They show that longitudinal optic phonon modes carry the largest amount of heat, in contrast to past simulations and that the total conductivi…
We report the interlayer screening effects of ultrathin MoS2 nanoflakes with different thicknesses by measuring their surface potential using Kelvin probe microscope. Surface potential of pristine MoS2 nanoflakes decreased with increasing thickness, while after annealing, the trend was opposite and the screening lengt…