Charge Transfer in Partition Theory

The recently proposed Partition Theory (PT) [J.Phys.Chem.A 111, 2229 (2007)] is illustrated on a simple one-dimensional model of a heteronuclear diatomic molecule. It is shown that a sharp definition for the charge of molecular fragments emerges from PT, and that the ensuing population analysis can be used to study how charge redistributes during dissociation and the implications of that redistribution for the dipole moment. Interpreting small differences between the isolated parts' ionization potentials as due to environmental inhomogeneities, we gain insight into how electron localization takes place in H2+ as the molecule dissociates. Furthermore, by studying the preservation of the shapes of the parts as different parameters of the model are varied, we address the issue of transferability of the parts. We find good transferability within the chemically meaningful parameter regime, raising hopes that PT will prove useful in chemical applications.Comment: 12 pages, 16 figure

A novel method for the injection and manipulation of magnetic charge states in nanostructures

Realising the promise of next-generation magnetic nanotechnologies is contingent on the development of novel methods for controlling magnetic states at the nanoscale. There is currently demand for simple and flexible techniques to access exotic magnetisation states without convoluted fabrication and application processes. 360 degree domain walls (metastable twists in magnetisation separating two domains with parallel magnetisation) are one such state, which is currently of great interest in data storage and magnonics. Here, we demonstrate a straightforward and powerful process whereby a moving magnetic charge, provided experimentally by a magnetic force microscope tip, can write and manipulate magnetic charge states in ferromagnetic nanowires. The method is applicable to a wide range of nanowire architectures with considerable benefits over existing techniques. We confirm the method's efficacy via the injection and spatial manipulation of 360 degree domain walls in Py and Co nanowires. Experimental results are supported by micromagnetic simulations of the tip-nanowire interaction.Comment: in Scientific Reports (2016

Local and global statistical distances are equivalent on pure states

The statistical distance between pure quantum states is obtained by finding a measurement that is optimal in a sense defined by Wootters. As such, one may expect that the statistical distance will turn out to be different if the set of possible measurements is restricted in some way. It nonetheless turns out that if the restriction is to local operations and classical communication (LOCC) on any multipartite system, then the statistical distance is the same as it is without restriction, being equal to the angle between the states in Hilbert space.Comment: 5 pages, comments welcom

First-principles investigation of 180-degree domain walls in BaTiO_3

We present a first-principles study of 180-degree ferroelectric domain walls in tetragonal barium titanate. The theory is based on an effective Hamiltonian that has previously been determined from first-principles ultrasoft-pseudopotential calculations. Statistical properties are investigated using Monte Carlo simulations. We compute the domain-wall energy, free energy, and thickness, analyze the behavior of the ferroelectric order parameter in the interior of the domain wall, and study its spatial fluctuations. An abrupt reversal of the polarization is found, unlike the gradual rotation typical of the ferromagnetic case.Comment: Revtex (preprint style, 13 pages) + 3 postscript figures. A version in two-column article style with embedded figures is available at http://electron.rutgers.edu/~dhv/preprints/index.html#pad_wal

Measuring the Generalized Friendship Paradox in Networks with Quality-dependent Connectivity

The friendship paradox is a sociological phenomenon stating that most people have fewer friends than their friends do. The generalized friendship paradox refers to the same observation for attributes other than degree, and it has been observed in Twitter and scientific collaboration networks. This paper takes an analytical approach to model this phenomenon. We consider a preferential attachment-like network growth mechanism governed by both node degrees and `qualities'. We introduce measures to quantify paradoxes, and contrast the results obtained in our model to those obtained for an uncorrelated network, where the degrees and qualities of adjacent nodes are uncorrelated. We shed light on the effect of the distribution of node qualities on the friendship paradox. We consider both the mean and the median to measure paradoxes, and compare the results obtained by using these two statistics

Train of high-power femtosecond pulses: Probe wave in a gas of prepared atoms

We present a new method for generating a regular train of ultrashort optical pulses in a prepared two-level medium. The train develops from incident monochromatic probe radiation travelling in a medium of atoms, which are in a quantum mechanical superposition of dressed internal states. In the frame of used linear theory for the probe radiation, the energy of individual pulses is an exponentially growing function of atom density and of interaction cross section. Pulse repetition rate is determined by the generalized Rabi frequency and can be around 1 THz and greater. We also show that the terms, extra to the dipole approximation, endow the gas by a new property: non-saturating dependence of refractive index on the dressing monochromatic field intensity. Contribution of these nonsaturating terms can be compatible with the main dipole approximation in the wavelength region of about ten micrometers (the range of CO_2 laser) or larger

On Toroidal Horizons in Binary Black Hole Inspirals

We examine the structure of the event horizon for numerical simulations of two black holes that begin in a quasicircular orbit, inspiral, and finally merge. We find that the spatial cross section of the merged event horizon has spherical topology (to the limit of our resolution), despite the expectation that generic binary black hole mergers in the absence of symmetries should result in an event horizon that briefly has a toroidal cross section. Using insight gained from our numerical simulations, we investigate how the choice of time slicing affects both the spatial cross section of the event horizon and the locus of points at which generators of the event horizon cross. To ensure the robustness of our conclusions, our results are checked at multiple numerical resolutions. 3D visualization data for these resolutions are available for public access online. We find that the structure of the horizon generators in our simulations is consistent with expectations, and the lack of toroidal horizons in our simulations is due to our choice of time slicing.Comment: Submitted to Phys. Rev.

Local Isoelectronic Reactivity of Solid Surfaces

The quantity w^N(r) = ( 1/ k^2 T_el)[partial n(r, T_el) / partial T_el]_(v(r),N) is introduced as a convenient measure of the local isoelectronic reactivity of surfaces. It characterizes the local polarizability of the surface and it can be calculated easily. The quantity w^N(r) supplements the charge transfer reactivity measured e.g. by the local softness to which it is closely related. We demonstrate the applicability and virtues of the function w^N(r) for the example of hydrogen dissociation and adsorption on Pd(100).Comment: RevTeX, 13 pages, 3 figures, to appear in Phys. Rev. Let

Heteronuclear ionizing collisions between laser-cooled metastable helium atoms

We have investigated cold ionizing heteronuclear collisions in dilute mixtures of metastable (2 3S1) 3He and 4He atoms, extending our previous work on the analogous homonuclear collisions [R. J. W. Stas et al., PRA 73, 032713 (2006)]. A simple theoretical model of such collisions enables us to calculate the heteronuclear ionization rate coefficient, for our quasi-unpolarized gas, in the absence of resonant light (T = 1.2 mK): K34(th) = 2.4*10^-10 cm^3/s. This calculation is supported by a measurement of K34 using magneto-optically trapped mixtures containing about 1*10^8 atoms of each species, K34(exp) = 2.5(8)*10^-10 cm^3/s. Theory and experiment show good agreement.Comment: 8 pages, 6 figure

High field magneto-transport in high mobility gated InSb/InAlSb quantum well heterostructures

We present high field magneto-transport data from a range of 30nm wide InSb/InAlSb quantum wells. The low temperature carrier mobility of the samples studied ranged from 18.4 to 39.5 m2V-1s-1 with carrier densities between 1.5x1015 and 3.28x1015 m-2. Room temperature mobilities are reported in excess of 6 m2V-1s-1. It is found that the Landau level broadening decreases with carrier density and beating patterns are observed in the magnetoresistance with non-zero node amplitudes in samples with the narrowest broadening despite the presence of a large g-factor. The beating is attributed to Rashba splitting phenomenon and Rashba coupling parameters are extracted from the difference in spin populations for a range of samples and gate biases. The influence of Landau level broadening and spin-dependent scattering rates on the observation of beating in the Shubnikov-de Haas oscillations is investigated by simulations of the magnetoconductance. Data with non-zero beat node amplitudes are accompanied by asymmetric peaks in the Fourier transform, which are successfully reproduced by introducing a spin-dependent broadening in the simulations. It is found that the low-energy (majority) spin up state suffers more scattering than the high-energy (minority) spin down state and that the absence of beating patterns in the majority of (lower density) samples can be attributed to the same effect when the magnitude of the level broadening is large