Search results for "Clusters"
showing 10 items of 1274 documents
Electronic structure of poly(p-(disilanylene)phenylene)
1996
Abstract We present the geometrical and electronic structures of several isomers of poly(p-(disilanylene)phenylene), The structural analysis, performed at the 3-21G* level, shows that the isomers with the phenylene group perpendicular to the silicon backbone are the more stable conformations, displaying almost the same energy. The electronic properties, as obtained from the valence-effective Hamiltonian (VEH) band structure calculations, strongly depend on the disposition of the phenylene group into the polymeric backbone. The VEH predicts a wide and asymmetric absorption band in excellent agreement with UV experimental data.
Silicon resonator sensors: interrogation techniques and characteristics
1988
Interferometric and noninterferometric optical-fibre sensing systems for resonator vibrations are described. The quality factor variation with pressure, the temperature dependence of resonant frequency and the acceleration sensitivity are given for a double-ended tuning-fork based acceleratometer.
Mapping the polarization pattern of plasmon modes reveals nanoparticle symmetry.
2008
We study the wavelength and polarization dependent plasmon resonances of single silver and gold nanorods, triangles, cubes, and dimers with a novel single particle spectroscopy method (RotPOL). In RotPOL, a rotating wedge-shaped polarizer encodes the full polarization information of each particle within one image. This reveals the symmetry of the particles and their plasmon modes, allows analyzing inhomogeneous samples and the monitoring of particle shape changes during growth in situ.
First-principles study of bulk and surface oxygen vacancies in SrTiO3 crystal
2009
The structural and electronic properties of the neutral and positively charged oxygen vacancies (F and F + centres) in the bulk and on the (001) surfaces of SrTiO3 crystal are examined within the hybrid Hartree-Fock and density functional theory (HF-DFT) method based upon the linear combination of atomic orbital (LCAO) approach. A comparison of the formation energy for surface and bulk defects indicates a perceptible propensity for the segregation of neutral and charged vacancies to both SrO and TiO2 surface terminations with a preference in the latter case which is important for interpretation of space charge effects at ceramic interfaces. It is found that the vacancies reveal more shallow…
Atomistic Theory of the Growth Mode for a Thin Metallic Film on an Isulating Substrate
2002
We have developed a novel theory for predicting the growth mode of a thin metallic film on an insulating substrate. Our theory combines ab initio electronic structure calculations for several ordered metal/insulator interfaces with varying metal coverage, with a thermodynamic method known in the theory of alloys. We illustrate this approach for an Ag film deposited on a MgO(001) substrate. Ab initio Hartree-Fock calculations predict a high mobility of adsorbed silver atoms on the perfect magnesia surface even at low temperatures. Our theoretical analysis clearly demonstrates that the growth of metal islands is predominant at the initial stage of silver deposition on MgO, which agrees with t…
A stable path to ferromagnetic hydrogenated graphene growth
2014
In this paper, we propose a practical way to stabilize half-hydrogenated graphene (graphone). We show that the dipole moments induced by an hexagonal-boron nitride (h-BN) substrate on graphene stabilize the hydrogen atoms on one sublattice of the graphene layer and suppress the migration of the absorbed hydrogen atoms. Based upon first principle spin polarized density of states (DOS) calculations, we show that the half hydrogenated graphene (graphone) obtained in different graphene-h-BN heterostructures exhibits a half metallic state. We propose to use this new exotic material for spin valve and other spintronics devices and applications.
Molecular-mediated assembly of silver nanoparticles with controlled interparticle spacing and chain length
2012
In the present work, we report on a one-pot method for the assembly of noble metal nanoparticles with tunable optical properties, assembly length and interparticle spacing. The synthetic colloidal route is based on the covalent binding among OH-terminated silver nanoparticles by means of dicarboxylic acids with a defined molecular length. As a result, the initially symmetric plasmon band of silver nanoparticles splits into two plasmonic modes when nanoparticles are assembled due to the strong near-field plasmon coupling. We noticed a very good correlation between the plasmon wavelength shift and the interparticle spacing that is represented by the universal scaling law of the surface plasmo…
Unraveling the Formation of Core−Shell Structures in Nanoparticles by S-XPS
2010
The combination of the surface sensitivity of X-ray photoelectron spectroscopy (XPS) with the high flux and variable photon energy excitation of Synchrotron radiation (S-XPS) is used to probe the atomic distribution of bimetallic nanoparticles. Based on the energy dependence of the photoemission differential cross section of core level photoelectrons, we propose a methodology to monitor the formation and to evaluate sizes of the core−shell structure. We have successfully applied it to unveil the mechanism involved in the atomic rearrangement of thermally treated Pt0.7Pd0.3 nanoparticles.
Chip-to-chip plasmonic interconnects and the activities of EU project NAVOLCHI
2012
In this paper, the chip-to-chip interconnection architecture adopted by the EU-project NAVOLCHI are discussed. The plasmonic physical layer consisting of a plasmonic nanoscale laser, a modulator, an amplifier and a detector is introduced. Current statuses of the plasmonic devices are reviewed.
Femtosecond exciton dynamics in WSe2 optical waveguides
2020
Van-der Waals (vdW) atomically layered crystals can act as optical waveguides over a broad range of the electromagnetic spectrum ranging from Terahertz to visible. Unlike common Si-based waveguides, vdW semiconductors host strong excitonic resonances that may be controlled using non-thermal stimuli including electrostatic gating and photoexcitation. Here, we utilize waveguide modes to examine photo-induced changes of excitons in the prototypical vdW semiconductor, WSe2, prompted by femtosecond light pulses. Using time-resolved scanning near-field optical microscopy we visualize the electric field profiles of waveguide modes in real space and time and extract the temporal evolution of the op…