A New Monte Carlo Method and Its Implications for Generalized Cluster Algorithms

We describe a novel switching algorithm based on a ``reverse'' Monte Carlo method, in which the potential is stochastically modified before the system configuration is moved. This new algorithm facilitates a generalized formulation of cluster-type Monte Carlo methods, and the generalization makes it possible to derive cluster algorithms for systems with both discrete and continuous degrees of freedom. The roughening transition in the sine-Gordon model has been studied with this method, and high-accuracy simulations for system sizes up to $1024^2$ were carried out to examine the logarithmic divergence of the surface roughness above the transition temperature, revealing clear evidence for universal scaling of the Kosterlitz-Thouless type.Comment: 4 pages, 2 figures. Phys. Rev. Lett. (in press

Reply on `comment on our paper `Single two-level ion in an anharmonic-oscillator trap: Time evolution of the Q function and population inversion ''

We show here that the model Hamiltonian used in our paper for ion vibrating in a q-analog harmonic oscillator trap and interacting with a classical single-mode light field is indeed obtained by replacing the usual bosonic creation and annihilation operators of the harmonic trap model by their q-deformed counterparts. The approximations made in our paper amount to using for the ion-laser interaction in a q-analog harmonic oscillator trap, the operator F_{q}=exp{-(|\epsilon|^2}/2)}exp{i\epsilon A^{\dagger}}exp{i\epsilon A}, which is analogous to the corresponding operator for ion in a harmonic oscillator trap that is $F=exp{-(|\epsilon|^2 /2)}exp{i\epsilon a^{\dagger }}exp{i\epsilon a}$. In our article we do not claim to have diagonalized the operator, $F_q = exp{i \epsilon (A^{\dagger}+A)}$, for which the basis states |g,m> and |e,m> are not analytic vectors.Comment: Revtex, 4pages. To be Published in Physical Review A59, NO.4(April 99

Linear and Nonlinear Optical Properties of Graphene Quantum Dots: A Computational Study

Due to the advantage of tunability via size, shape, doping and relatively low level of loss and high extent of spatial confinement, graphene quantum dots (GQDs) are emerging as an effective way to control light by molecular engineering. The collective excitation in GQDs shows both high energy plasmon frequency along with frequencies in the terahertz (THz) region making these systems powerful materials for photonic technologies. Here, we report a systematic study of the linear and nonlinear optical properties of large varieties of GQDs (400 systems) in size and topology utilizing the strengths of both semiempirical and first-principles methods. Our detailed study shows how the spectral shift and trends in the optical nonlinearity of GQDs depends on their structure, size and shape. Among the circular, triangular, stripe, and random shaped GQDs, we find that GQDs with inequivalent sublattice atoms always possess lower HOMO-LUMO gap, broadband absorption and high nonlinear optical coefficients. Also, we find that for majority of the GQDs with interesting linear and nonlinear optical properties have zigzag edges, although reverse is not always true. We strongly believe that our findings can act as guidelines to design GQDs in optical parametric oscillators, higher harmonic generators and optical modulators.Comment: 21 pages, 11 figures, 4 table

Magnetotransport in polycrystalline La2/3_{2/3}Sr1/3_{1/3}MnO3_{3} thin films of controlled granularity

Polycrystalline La$_{2/3}$Sr$_{1/3}$MnO$_{3}$ (LSMO) thin films were synthesized by pulsed laser ablation on single crystal (100) yttria-stabilized zirconia (YSZ) substrates to investigate the mechanism of magneto-transport in a granular manganite. Different degrees of granularity is achieved by using the deposition temperature (T$_{D}$) of 700 and 800 $^{0}$C. Although no significant change in magnetic order temperature (T$_C$) and saturation magnetization is seen for these two types of films, the temperature and magnetic field dependence of their resistivity ($\rho$(T, H)) is strikingly dissimilar. While the $\rho$(T,H) of the 800 $^{0}$C film is comparable to that of epitaxial samples, the lower growth temperature leads to a material which undergoes insulator-to-metal transition at a temperature (T$_{P}$ $\approx$ 170 K) much lower than T$_C$. At T $\ll$ T$_P$, the resistivity is characterized by a minimum followed by ln \emph{T} divergence at still lower temperatures. The high negative magnetoresistance ($\approx$ 20$$) and ln \emph{T} dependence below the minimum are explained on the basis of Kondo-type scattering from blocked Mn-spins in the intergranular material. Further, a striking feature of the T$_D$ = 700 $^{0}$C film is its two orders of magnitude larger anisotropic magnetoresistance (AMR) as compared to the AMR of epitaxial films. We attribute it to unquenching of the orbital angular momentum of 3d electrons of Mn ions in the intergranular region where crystal field is poorly defined.Comment: 26 pages, 7 figure

Elastic response of filamentous networks with compliant crosslinks

Experiments have shown that elasticity of disordered filamentous networks with compliant crosslinks is very different from networks with rigid crosslinks. Here, we model and analyze filamentous networks as a collection of randomly oriented rigid filaments connected to each other by flexible crosslinks that are modeled as worm-like chains. For relatively large extensions we allow for enthalpic stretching of crosslinks' backbones. We show that for sufficiently high crosslink density, the network linear elastic response is affine on the scale of the filaments' length. The nonlinear regime can become highly nonaffine and is characterized by a divergence of the elastic modulus at finite strain. In contrast to the prior predictions, we do not find an asymptotic regime in which the differential elastic modulus scales linearly with the stress, although an approximate linear dependence can be seen in a transition from entropic to enthalpic regimes. We discuss our results in light of the recent experiments.Comment: 10 pages, 11 figure

Fourier Series for Fox's H-Function of Two Variables

An attempt has been made to derive a Fourier series expansion for the H-function of two variables recently defined by Verma. This series is analogous to that of other special functions such as the MacRober's E-function, Meijer's G-function and Fox's H-function of single variable as given by MacRober, Kesarwani, Parihar, Parashar, Kapoor & Gupta. In the end an integral has been evaluated by making use of this result