Evidence for Kosterlitz-Thouless type orientational ordering of CF3_3Br monolayers physisorbed on graphite

Monolayers of the halomethane CF$_3$Br adsorbed on graphite have been investigated by x-ray diffraction. The layers crystallize in a commensurate triangular lattice. On cooling they approach a three-sublattice antiferroelectric pattern of the in-plane components of the dipole moments. The ordering is not consistent with a conventional phase transition, but points to Kosterlitz-Thouless behavior. It is argued that the transition is described by a 6-state clock model on a triangular lattice with antiferromagnetic nearest neighbor interactions which is studied with Monte-Carlo simulations. A finite-size scaling analysis shows that the ordering transition is indeed in the KT universality class.Comment: 4 pages, 5 figure

Energy evolution in time-dependent harmonic oscillator

The theory of adiabatic invariants has a long history, and very important implications and applications in many different branches of physics, classically and quantally, but is rarely founded on rigorous results. Here we treat the general time-dependent one-dimensional harmonic oscillator, whose Newton equation $\ddot{q} + \omega^2(t) q=0$ cannot be solved in general. We follow the time-evolution of an initial ensemble of phase points with sharply defined energy $E_0$ at time $t=0$ and calculate rigorously the distribution of energy $E_1$ after time $t=T$, which is fully (all moments, including the variance $\mu^2$) determined by the first moment $\bar{E_1}$. For example, $\mu^2 = E_0^2 [(\bar{E_1}/E_0)^2 - (\omega (T)/\omega (0))^2]/2$, and all higher even moments are powers of $\mu^2$, whilst the odd ones vanish identically. This distribution function does not depend on any further details of the function $\omega (t)$ and is in this sense universal. In ideal adiabaticity $\bar{E_1} = \omega(T) E_0/\omega(0)$, and the variance $\mu^2$ is zero, whilst for finite $T$ we calculate $\bar{E_1}$, and $\mu^2$ for the general case using exact WKB-theory to all orders. We prove that if $\omega (t)$ is of class ${\cal C}^{m}$ (all derivatives up to and including the order $m$ are continuous) $\mu \propto T^{-(m+1)}$, whilst for class ${\cal C}^{\infty}$ it is known to be exponential $\mu \propto \exp (-\alpha T)$.Comment: 26 pages, 5 figure

Creation of entanglement in a scalable spin quantum computer with long-range dipole-dipole interaction between qubits

Creation of entanglement is considered theoretically and numerically in an ensemble of spin chains with dipole-dipole interaction between the spins. The unwanted effect of the long-range dipole interaction is compensated by the optimal choice of the parameters of radio-frequency pulses implementing the protocol. The errors caused by (i) the influence of the environment,(ii) non-selective excitations, (iii) influence of different spin chains on each other, (iv) displacements of qubits from their perfect locations, and (v) fluctuations of the external magnetic field are estimated analytically and calculated numerically. For the perfectly entangled state the z component, M, of the magnetization of the whole system is equal to zero. The errors lead to a finite value of M. If the number of qubits in the system is large, M can be detected experimentally. Using the fact that M depends differently on the parameters of the system for each kind of error, varying these parameters would allow one to experimentally determine the most significant source of errors and to optimize correspondingly the quantum computer design in order to decrease the errors and M. Using our approach one can benchmark the quantum computer, decrease the errors, and prepare the quantum computer for implementation of more complex quantum algorithms.Comment: 31 page

Photoluminescence and Terahertz Emission from Femtosecond Laser-Induced Plasma Channels

Luminescence as a mechanism for terahertz emission from femtosecond laser-induced plasmas is studied. By using a fully microscopic theory, Coulomb scattering between electrons and ions is shown to lead to luminescence even for a spatially homogeneous plasma. The spectral features introduced by the rod geometry of laser-induced plasma channels in air are discussed on the basis of a generalized mode-function analysis.Comment: 4 pages with 2 figures

Quasiparticle Band Structure and Density Functional Theory: Single-Particle Excitations and Band Gaps in Lattice Models

We compare the quasiparticle band structure for a model insulator obtained from the fluctuation exchange approximation (FEA) with the eigenvalues of the corresponding density functional theory (DFT) and local density approximation (LDA). The discontinuity in the exchange-correlation potential for this model is small and the FEA and DFT band structures are in good agreement. In contrast to conventional wisdom, the LDA for this model overestimates the size of the band gap. We argue that this is a consequence of an FEA self-energy that is strongly frequency dependent, but essentially local.Comment: 8 pages, and 5 figure

Pressure dependence of diffusion in simple glasses and supercooled liquids

Using molecular dynamics simulation, we have calculated the pressure dependence of the diffusion constant in a binary Lennard-Jones Glass. We observe four temperature regimes. The apparent activation volume drops from high values in the hot liquid to a plateau value. Near the critical temperature of the mode coupling theory it rises steeply, but in the glassy state we find again small values, similar to the ones in the liquid. The peak of the activation volume at the critical temperature is in agreement with the prediction of mode coupling theory

Separation of the Exchange-Correlation Potential into Exchange plus Correlation: an Optimized Effective Potential Approach

Most approximate exchange-correlation functionals used within density functional theory are constructed as the sum of two distinct contributions for exchange and correlation. Separating the exchange component from the entire functional is useful since, for exchange, exact relations exist under uniform density scaling and spin scaling. In the past, accurate exchange-correlation potentials have been generated from essentially exact densities constructed using information from either quantum chemistry or quantum Monte Carlo calculations but they have not been correctly decomposed into their separate exchange and correlation components, except for two-electron systems. exchange and correlation components (except for two-electron systems). Using a recently proposed method, equivalent to the solution of an optimized effective potential problem with the corresponding orbitals replaced by the exact Kohn-Sham orbitals, we obtain the separation according to the density functional theory definition. We compare the results for the Ne and Be atoms with those obtained by the previously used approximate separation scheme

Theoretical studies of the historical development of the accounting discipline: a review and evidence

Many existing studies of the development of accounting thought have either been atheoretical or have adopted Kuhn's model of scientific growth. The limitations of this 35-year-old model are discussed. Four different general neo-Kuhnian models of scholarly knowledge development are reviewed and compared with reference to an analytical matrix. The models are found to be mutually consistent, with each focusing on a different aspect of development. A composite model is proposed. Based on a hand-crafted database, author co-citation analysis is used to map empirically the entire literature structure of the accounting discipline during two consecutive time periods, 1972–81 and 1982–90. The changing structure of the accounting literature is interpreted using the proposed composite model of scholarly knowledge development