Search results for "defect"
showing 10 items of 879 documents
Atomic structure relaxation in nanocrystalline NiO studied by EXAFS spectroscopy: Role of nickel vacancies
2012
Nanocrystalline NiO samples have been studied using the Ni K-edge extended x-ray absorption fine structure (EXAFS) spectroscopy and recently developed modeling technique, combining classical molecular dynamics with ab initio multiple-scattering EXAFS calculations (MD-EXAFS). Conventional analysis of the EXAFS signals from the first two coordination shells of nickel revealed that (i) the second shell average distance R(Ni–Ni2) expands in nanocrystalline NiO compared to microcrystalline NiO, in agreement with overall unit cell volume expansion observed by x-ray diffraction; (ii) on the contrary, the first shell average distance R(Ni–O1) in nanocrystalline NiO shrinks compared to microcrystall…
Eddy-Current Imaging with Nitrogen-Vacancy Centers in Diamond
2018
We demonstrate microwave-free eddy-current imaging using nitrogen-vacancy centers in diamond. By detecting the eddy-current induced magnetic field of conductive samples, we can distinguish between different materials and shapes and identify structural defects. Our technique allows for the discrimination of different materials according to their conductivity. The sensitivity of the measurements is calculated as 8$\times 10 ^{5}$\,S/m\,$\sqrt[]{\textrm{Hz}}$ at 3.5\,MHz, for a cylindrical sample with radius $r_0$\,=\,1\,mm and height $h$\,=\,0.1\,mm (volume $\sim$\,0.3\,mm$^3$), at a distance of 0.5\,mm. In comparison with existing technologies, the diamond-based device exhibits a superior ba…
Optically Enhanced Electric Field Sensing Using Nitrogen-Vacancy Ensembles
2021
Nitrogen-vacancy (NV) centers in diamond have shown promise as inherently localized electric-field sensors, capable of detecting individual charges with nanometer resolution. Working with NV ensembles, we demonstrate that a detailed understanding of the internal electric field environment enables enhanced sensitivity in the detection of external electric fields. We follow this logic along two complementary paths. First, using excitation tuned near the NV's zero-phonon line, we perform optically detected magnetic resonance (ODMR) spectroscopy at cryogenic temperatures in order to precisely measure the NV center's excited-state susceptibility to electric fields. In doing so, we demonstrate th…
Curvature as a Guiding Field for Patterns in Thin Block Copolymer Films
2018
Experimental data on thin films of cylinder-forming block copolymers (BC)—free-standing BCmembranes as well as supported BC films—strongly suggest that the local orientation of the BC patternsis coupled to the geometry in which the patterns are embedded. We analyze this phenomenon using generalsymmetry considerations and numerical self-consistent field studies of curved BC films in cylindricalgeometry. The stability of the films against curvature-induced dewetting is also analyzed. In goodagreement with experiments, we find that the BC cylinders tend to align along the direction of curvature athigh curvatures. At low curvatures, we identify a transition from perpendicular to parallel alignm…
Resolving Point Defects in the Hydration Structure of Calcite (10.4) with Three-Dimensional Atomic Force Microscopy
2018
It seems natural to assume that defects at mineral surfaces critically influence interfacial processes such as the dissolution and growth of minerals in water. The experimental verification of this claim, however, is challenging and requires real-space methods with utmost spatial resolution, such as atomic force microscopy (AFM). While defects at mineral-water interfaces have been resolved in 2D AFM images before, the perturbation of the surrounding hydration structure has not yet been analyzed experimentally. In this Letter, we demonstrate that point defects on the most stable and naturally abundant calcite (10.4) surface can be resolved using high-resolution 3D AFM-even within the fifth h…
Vortex dynamics in Bi2Sr2CaCu2O8-thin films in the presence of columnar defects
1996
With heavy ion irradiation we create continous amorphous columnar defects in Bi2Sr2CaCu2O8-thin films. With regard to a reliable comparison of irradiation effects three of four identical striplines on the same samples were exposed to different irradiation procedures. We performed irradiations as well parallel as under different angles with respect to the film $$\vec c$$ -axis. Beside an enlarged normal state resistivity after irradiation the films suffer a Tc-reduction proportional to the volume of the damaged material. The activation energy ascertained from resistive transitions shows best enhancement for magnetic field values close to the matching field. Measurements of the transport crit…
Plastic Deformation of Single Nanometer-Sized Crystals
2008
We report in situ electron microscopy observations of the plastic deformation of individual nanometer-sized Au, Pt, W, and Mo crystals. Specifically designed graphitic cages that contract under electron irradiation are used as nanoscopic deformation cells. The correlation with atomistic simulations shows that the observed slow plastic deformation is due to dislocation activity. Our results also provide evidence that the vacancy concentration in a nanoscale system can be smaller than in the bulk material, an effect which has not been studied experimentally before.
Confinement effects for ionic carriers in SrTiO3 ultrathin films: first-principles calculations of oxygen vacancies.
2010
One-dimensional confinement effects are modelled within the hybrid HF-DFT LCAO approach considering neutral and single-charged oxygen vacancies in SrTiO(3) ultrathin films. The calculations reveal that confinement effects are surprisingly short-range in this partly covalent perovskite; already for film thickness of 2-3 nm (and we believe, similar size nanoparticles) only the surface-plane defect properties differ from those in the bulk. This includes a pronounced decrease of the defect formation energy (by ∼1 eV), a much deeper defect band level and a noticeable change in the electronic density redistribution at the near-surface vacancy site with respect to that in the bulk. The results als…
Ab initiocalculations of theFcenters in MgF2bulk and on the (001) surface
2012
We present and discuss the results of atomic and electronic structure calculations of the F centers in MgF2 bulk and on the (001) surface. The calculations are based on the B3PW Hartree–Fock and density functional theory hybrid exchange-correlation functional. Most of the electronic density of a missing fluorine ion is localized in the bulk vacancy and a little bit less—in a surface vacancy. It is shown that the electronic F center is a deep donor. The lattice distortion and defect formation energy on the neutral (001) surface and in the bulk are also compared.
Permanent photodoping of plasmonic gallium-ZnO nanocrystals
2020
This work was supported by the Latvian Council of Science in the framework of FLPP (Plasmonic oxide quantum dots for energy saving smart windows, lzp-2018/1-0187). Tanel Käämbre acknowledges financial support for the XPS instrumentation maintenance from the Estonian Centre of Excellence in Research project “Advanced materials and high- technology devices for sustainable energetics, sensorics and nanoelectronics” (TK141).