Search results for "ta114"
showing 10 items of 1144 documents
Patterning and tuning of electrical and optical properties of graphene by laser induced two-photon oxidation
2015
Graphene, being an ultrathin, durable, flexible, transparent material with superior conductivity and unusual optical properties, promises many novel applications in electronics, photonics and optoelectronics. For applications in electronics, patterning and modification of electrical properties is very desirable since pristine graphene has no band gap. Here we demonstrate a simple all-optical patterning method for graphene, based on laser induced two-photon oxidation. By tuning the intensity of irradiation and the number of pulses the level of oxidation can be controlled to high precision and, therefore, a band gap can be introduced and electrical and optical properties can be continuously t…
Nonmagnetic and magnetic thiolate-protected Au25superatoms on Cu(111), Ag(111), and Au(111) surfaces
2012
Geometry, electronic structure, and magnetic properties of methylthiolate-stabilized Au$_{25}$L$_{18}$ and MnAu$_{24}$L$_{18}$ (L = SCH$_3$) clusters adsorbed on noble-metal (111) surfaces have been investigated by using spin-polarized density functional theory computations. The interaction between the cluster and the surface is found to be mediated by charge transfer mainly from or into the ligand monolayer. The electronic properties of the 13-atom metal core remain in all cases rather undisturbed as compared to the isolated clusters in gas phase. The Au$_{25}$L$_{18}$ cluster retains a clear HOMO - LUMO energy gap in the range of 0.7 eV to 1.0 eV depending on the surface. The ligand layer…
Ab initiolattice dynamical studies of silicon clathrate frameworks and their negative thermal expansion
2014
The thermal and lattice dynamical properties of seven silicon clathrate framework structures are investigated with ab initio density functional methods (frameworks I, II, IV, V, VII, VIII, and H). The negative thermal expansion (NTE) phenomenon is investigated by means of quasiharmonic approximation and applying it to equal time displacement correlation functions. The thermal properties of the studied clathrate frameworks, excluding the VII framework, resemble those of the crystalline silicon diamond structure. The clathrate framework VII was found to have anomalous NTE temperature range up to 300 K and it is suitable for further studies of the mechanisms of NTE. Investigation of the displa…
Vortices in rotating two-component boson and fermion traps
2010
Quantum liquids may carry angular momentum by the formation of vortex states. This is well known for Bose-Einstein condensates in rotating traps, and was even found to occur in quantum dots at strong magnetic fields. Here we consider a two-component quantum liquid, where coreless vortices and interlaced lattices of coreless vortices appear in a very similar way for fermions and bosons with repulsive two-body interactions. The ground states at given angular momentum, as well as the pair correlations for equal and different numbers of atoms in the two components, are studied. (C) 2009 Elsevier B.V. All rights reserved.
Roton-roton crossover in strongly correlated dipolar Bose-nonstnon condensates
2011
We study the pair correlations and excitations of a dipolar Bose gas layer. The anisotropy of the dipole-dipole interaction allows us to tune the strength of pair correlations from strong to weak perpendicular and weak to strong parallel to the layer by increasing the perpendicular trap frequency. This change is accompanied by a roton-roton crossover in the spectrum of collective excitations, from a roton caused by the head-to-tail attraction of dipoles to a roton caused by the side-by-side repulsion, while there is no roton excitation for intermediate trap frequencies. We discuss the nature of these two kinds of rotons and the relation to instabilities of dipolar Bose gases. In both regime…
Many-particle dynamics of bosons and fermions in quasi-one-dimensional flat-band lattices
2013
The difference between boson and fermion dynamics in quasi-one-dimensional lattices is studied by calculating the persistent current in small quantum rings and by exact simulations of the time evolution of the many-particle state in two cases: expansion of a localized cloud and collisions in a Newton’s cradle. We consider three different lattices which in the tight-binding model exhibit flat bands. The physical realization is considered to be an optical lattice with bosonic or fermionic atoms. The atoms are assumed to interact with a repulsive short-range interaction. The different statistics of bosons and fermions lead to different dynamics. Spinless fermions are easily trapped in the flat…
Hartree-Fock-Bogoliubov solution of the pairing Hamiltonian in finite nuclei
2013
We present an overview of the Hartree-Fock-Bogoliubov (HFB) theory of nucleonic superfluidity for finite nuclei. After introducing basic concepts related to pairing correlations, we show how the correlated pairs are incorporated into the HFB wave function. Thereafter, we present derivation and structure of the HFB equations within the superfluid nuclear density functional formalism and discuss several aspects of the theory, including the unitarity of the Bogoliubov transformation in truncated single-particle and quasiparticle spaces, form of the pairing functional, structure of the HFB continuum, regularization and renormalization of pairing fields, and treatment of pairing in systems with …
Evolution of an isolated monopole in a spin-1 Bose-Einstein condensate
2016
We simulate the decay dynamics of an isolated monopole defect in the nematic vector of a spin-1 Bose-Einstein condensate during the polar-to-ferromagnetic phase transition of the system. Importantly, the decay of the monopole occurs in the absence of external magnetic fields and is driven principally by the dynamical instability due to the ferromagnetic spin-exchange interactions. An initial isolated monopole is observed to relax into a polar-core spin vortex, thus demonstrating the spontaneous transformation of a point defect of the polar order parameter manifold to a line defect of the ferromagnetic manifold. We also investigate the dynamics of an isolated monopole pierced by a quantum vo…
Partial self-consistency and analyticity in many-body perturbation theory: Particle number conservation and a generalized sum rule
2016
We consider a general class of approximations which guarantees the conservation of particle number in many-body perturbation theory. To do this we extend the concept of $\Phi$-derivability for the self-energy $\Sigma$ to a larger class of diagrammatic terms in which only some of the Green's function lines contain the fully dressed Green's function $G$. We call the corresponding approximations for $\Sigma$ partially $\Phi$-derivable. A special subclass of such approximations, which are gauge-invariant, is obtained by dressing loops in the diagrammatic expansion of $\Phi$ consistently with $G$. These approximations are number conserving but do not have to fulfill other conservation laws, such…
Propagation of uncertainties in the Skyrme energy-density-functional model
2013
Parameters of nuclear energy-density-functionals (EDFs) are always derived by an optimization to experimental data. For the minima of appropriately defined penalty functions, a statistical sensitivity analysis provides the uncertainties of the EDF parameters. To quantify theoretical errors of observables given by the model, we studied the propagation of uncertainties within the UNEDF0 Skyrme-EDF approach. We found that typically the standard errors rapidly increase towards neutron rich nuclei. This can be linked to large uncertainties of the isovector coupling constants of the currently used EDFs.