Search results for "POLARIZABILITY"
showing 10 items of 240 documents
Synthesis of rod-shaped gold nanorattles with improved plasmon sensitivity and catalytic activity.
2009
We prepared rod-shaped gold nanorattles solid gold nanorods surrounded by a thin gold shell using a galvanic replacement process starting with silver-coated gold nanorods. These structures are very promising candidates for catalytic applications and optimized plasmon sensors. They combine the advantages of rods (low plasmon resonance frequency, large polarizability, small damping) with the high surface area of hollow structures. The plasmon sensitivity to changes in the dielectric environment is up to 50% higher for gold nanorattles compared to gold nanorods with the same resonance frequency and 6x higher than for plasmons in spherical gold nanoparticles. The catalytic activity measured for…
CCSD-CTOCD static dipole shielding polarizability for quantification of the chiral NMR effects in oxaziridine derivatives
2014
Chiral discrimination by nuclear magnetic resonance (NMR) spectroscopy might be achieved through the pseudo-scalar derived from the dipole shielding polarizability tensor. Coupled Cluster Singles and Doubles-Quadratic Response (CCSD-QR) calculations inside the continuous translation of the origin of the current density formalism have been carried out to determine the effects of basis set, electron correlation, and gauge translation on the determination of this magnitude in oxaziridine derivatives. Inclusion of electronic correlation is needed for adequately describing the pseudo-scalar for the heavier nuclei, making CCSD a rigorous and affordable method to compute these high order propertie…
Thermal Expansion in Small Metal Clusters and its Impact on the Electric Polarizability
2000
The thermal expansion coefficients of $\mathrm{Na}_{N}$ clusters with $8 \le N \le 40$ and $\mathrm{Al}_{7}$, $\mathrm{Al}_{13}^-$ and $\mathrm{Al}_{14}^-$ are obtained from {\it ab initio} Born-Oppenheimer LDA molecular dynamics. Thermal expansion of small metal clusters is considerably larger than that in the bulk and size-dependent. We demonstrate that the average static electric dipole polarizability of Na clusters depends linearly on the mean interatomic distance and only to a minor extent on the detailed ionic configuration when the overall shape of the electron density is enforced by electronic shell effects. The polarizability is thus a sensitive indicator for thermal expansion. We …
Chemical-state analyses of Ni, Zn, and W ions in NiWO$_4$-ZnWO$_4$ solid solutions by X-ray photoelectron spectroscopy
2022
The chemical states of Ni, Zn, and W in microcrystalline NiWO$_4$-ZnWO$_4$ solid solutions were studied by X-ray photoelectron spectroscopy. The recorded spectra of the Ni 2p, Zn 2p, and W 4f photoelectron lines and Ni L$_2$M$_{23}$M$_{45}$, Zn L$_3$M$_{45}$M$_{45}$, and W N$_4$N$_{67}$N$_{7}$ Auger-transition lines show pronounced changes with increasing Zn concentration. The positions of the resolved photoelectron and Auger-transition lines were combined to construct so-called chemical-state plots (Wagner or Auger-parameter plots) for metal ions in solid solutions. With increasing Zn concentration, the Auger parameter increases for Ni and decreases for W, thus evidencing a lowering and an…
Lamb shift of a uniformly accelerated hydrogen atom in the presence of a conducting plate
2009
We investigate the effects of acceleration on the energy-level shifts of a hydrogen atom interacting with the electromagnetic field and in the presence of an infinite perfectly conducting plate. We consider the contributions of vacuum fluctuations and of the radiation reaction field to the Lamb shift, and we discuss their dependence from the acceleration of the atom. We show that, because of the presence of the boundary, both vacuum field fluctuations and radiation reaction field contributions are affected by atomic acceleration. In particular, the effect of the vacuum field fluctuations on the energy-level shifts is not equivalent to that of a thermal field. We also discuss the dependence …
Dielectric relaxation and conductivity in ferroelectric perovskites
1996
Abstract Ferroelectric ABO3 perovskites are usually well known for their high dielectric susceptibility. Under selected impurity substitutions their conductivity may be strongly increased. The interaction between electronic conductivity and lattice polarizability may take place over different length scales. At high temperatures (T > 300 K), this interaction length is macroscopic leading to space charges. At low temperatures (T < 50 K), the polaronic interaction is restricted to a few unit cells. In the special case of SrTiO3, these polaronic excitons are sensitive to the quantum fluctuations which lead to the new concept of quantum polarons.
Trapped Rydberg ions: A new platform for quantum information processing
2020
Abstract In this chapter, we present an overview of experiments with trapped Rydberg ions and outline the advantages and challenges of developing applications of this new platform for quantum computing, sensing, and simulation. Trapped Rydberg ions feature several important properties, unique in their combination: they are tightly bound in a harmonic potential of a Paul trap, in which their internal and external degrees of freedom can be controlled in a precise fashion. High fidelity state preparation of both internal and motional states of the ions has been demonstrated, and the internal states have been employed to store and manipulate qubit information. Furthermore, strong dipolar intera…
A Comparative Ab Initio Thermodynamic Study of Oxygen Vacancies in ZnO and SrTiO3: Emphasis on Phonon Contribution
2013
Using a hybrid Hartree–Fock (HF)-DFT method combined with LCAO basis set and periodic supercell approach, the atomic, electronic structure and phonon properties of oxygen vacancies in ZnO and SrTiO3 were calculated and compared. The important role of a ghost basis function centered at the vacant site and defect spin state for SrTiO3 is discussed. It is shown that the use of hybrid functionals is vital for correct reproduction of defects basic properties. The Gibbs free energy of formation of oxygen vacancies and their considerable temperature dependence has been compared for the two oxides. These calculations were based on the polarizability model for the soft mode temperature behavior in S…
The effect of triple excitations in coupled cluster calculations of frequency-dependent polarizabilities
1998
Abstract Frequency-dependent polarizabilities have been implemented within the CC3 model. Comparison with full configuration interaction results shows that the triple excitation effects included in CC3 lead to a significantly improved treatment for the dispersion of the polarizability of CH+. For the refractivity and polarizability anisotropy of N2, better agreement with experiment is found for the CC3 results than for those obtained with the coupled cluster singles and doubles model.
Polarizability of the neutron
1990
Abstract A first measurement of quasi-free Compton scattering by the neutron bound in the deuteron has yielded a value for the polarizability of the neutron of αn=(11.7 −11.7+4.3)×10 −4fm 3. This means that a finite value for the polarizability has been obtained, though the result is still consistent with zero. The π0 decay constant Fπ 0γγ and the pion nucleon coupling constant gNNπ have opposite signs.