Materials Literature
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The structural, electronic, and optical properties of 12 multicomponent oxides with layered structure $RAM$O${}_{4}$, where $R$${}^{3+}$ = In or Sc, $A$${}^{3+}$ = Al or Ga, and $M$${}^{2+}$ = Ca, Cd, Mg, or Zn, are investigated using first-principles density functional approach. The compositional complexity of $RAM$O…
A cost-effective and potentially industrially scalable, in situ functionalization procedure for preparation of soluble graphene nanoribbon (GNRs) from commercially available carbon nanotubes is presented. The physical characteristics of the functionalized product were determined using SEM, evolved gas analysis, X-ray…
We report inelastic neutron scattering measurements of the phonon spectra in a pure powder sample of the multiferroic material BiFeO3. A high-temperature range was covered to unravel the changes in the phonon dynamics across the Néel (TN ∼ 650 K) and Curie (TC ∼ 1100 K) temperatures. Experimental results are accompani…
Using many-body perturbation theory within the $G_0W_0$ approximation, we explore routes for computing the ionization potential (IP), electron affinity (EA), and fundamental gap of three gas-phase molecules -- benzene, thiophene, and (1,4) diamino-benzene -- and compare with experiments. We examine the dependence of t…
We present magnetic stray field measurements performed on a single micro-crystal of the half metallic ferromagnet CrO$_2$, covered by a naturally grown 2\,-\,5\,nm surface layer of antiferromagnetic (AFM) Cr$_2$O$_3$. The temperature variation of the stray field of the micro-crystal measured by micro-Hall magnetometry…
The dynamic disorder model for charge carrier transport in organic semiconductors has been extensively studied in recent years. Although it is successful on determining the value of bandlike mobility in the organic crystalline materials, the incoherent hopping, the typical transport characteristic in organic semicondu…
The phase stability of the (Bi2)m(Bi2Te3)n natural superlattices has been investigated through the low temperature solid state synthesis of a number of new binary BixTe1-x compositions. Powder X-ray diffraction revealed that an infinitely adaptive series forms for 0.44 < x < 0.70, while an unusual 2-phase region with…
We investigate numerically the transverse versus vortex phase diagram of head-to-head domain walls in Co/Cu/Py spin valve nano-stripes (Py: Permalloy), in which the Co layer is mostly single domain while the Py layer hosts the domain wall. The range of stability of the transverse wall is shifted towards larger thickne…
Rhodium doping in the LaCo${}_{1\ensuremath{-}x}$Rh${}_{x}$O${}_{3}$ perovskite series ($x=0.02$--0.5) has been studied by use of x-ray diffraction, electric transport, and magnetization measurements, complemented by electronic structure GGA+$U$ calculations in a supercell for different concentration regimes. No charg…
We compare the low-temperature electronic properties of the centrosymmetric (CS) and non-centrosymmetric (NCS) phases of Re3W using muon-spin spectroscopy and heat capacity measurements. The zero-field muSR results indicate that time-reversal symmetry is preserved for both structures of Re3W. Transverse-field muon spi…
A microscopic many-body transport approach for electronic properties of spatially inhomogeneous systems is developed at the fully quantum-mechanical level by means of plane wavelets second quantization representation. It is obtained that current density is determined by the statistically averaged microscopic polarizat…
This paper describes a two-dimensional (2D) finite element simulation for fracture and fatigue behaviours of pure alumina microstructures such as those found at hip prostheses. Finite element models are developed using actual Al2O3 microstructures and a bilinear cohesive zone law. Simulation conditions are similar to…
We investigate numerically the use of a negative-permeability "perfect lens" for enhancing wireless power transfer between two current carrying coils. The negative permeability slab serves to focus the flux generated in the source coil to the receiver coil, thereby increasing the mutual inductive coupling between the…
We investigate the band structure of chromium nitride using the $N$th-order muffin-tin orbitals (NMTO) based downfolding technique. We obtain downfolded Cr $d$ bands including both $e_{g}$ and $t_{2g}$ states and the hopping integrals of the tight-binding Cr $d$ bands for both cubic and orthorhombic lattice. We furthe…
We report a homoleptic Au-Cu alkynyl cluster that represents an unexplored class of luminescent materials with stimuli-responsive photophysical properties. The bimetallic complex formulated as [Au(2)Cu(2)(C(2)OHC(5)H(8))(4)](n) efficiently self-assembles from Au(SC(4)H(8))Cl, Cu(NCMe)(4)PF(6), and 1-ethynylcyclopentan…
Time-resolved threshold switching characteristics including transient parameters such as delay time and holding voltage are reported for a nanoscale GeTe6 Ovonic threshold switching (OTS) device. The voltage dependence of the threshold switching process has been studied, revealing switching in less than 5 ns in the fa…
New layered SnS 2 nanosheet arrays consisting of 1–5 atomic layers were synthesized directly on Sn foil as both the tin source and the metal current collector substrates by a simple biomolecule-assisted method. It is found that SnS 2 nanosheets synthesized have excellent photoelectric applications, such as on lithium…
Abstract PbTe alloys have been the most efficient materials for thermoelectric power generation since the 1950s. In addition to the observed lattice thermal conductivity reduction by alloy scattering, recent efforts targeting electronic‐transport enhancement through band structure engineering have demonstrated a desig…
Nanostructures, particularly those from peptide self-assemblies, have attracted great attention lately due to their potential applications in nanotemplating and nanotechnology. Recent experimental studies reported that diphenylalanine-based peptides can self-assemble into highly ordered nanostructures such as nanovesi…
BACKGROUND: To better understand the potential ecotoxicological impacts of silver nanoparticles released into freshwater environments, the Daphnia magna 48-hour immobilization test was used. METHODS: The toxicities of silver nitrate, two types of colloidal silver nanoparticles, and a suspension of silver nanoparticles…