Localized exciton states in pi-conjugated polymers with finite torsion

We investigate localized exciton states in pi-conjugated polymers with finite torsion. The localized states are associated with a perturbed transfer integral for which the magnitude of cosine of the torsion angle exceeds the magnitude of the corresponding cosine of the unperturbed system. The localized state energy is calculated as a function of the ratio of the perturbed to unperturbed transfer integrals. Particular attention is paid to the optically active symmetric localized states, and the effective oscillator strength, or square of the absolute magnitude of the transition dipole moment, is calculated as a function of the energy. The relation of the theory to recent optical studies of poly(di-noctylfluorene)(PF8) is discussed.Comment: 11 pages pdf documen

Quantum Statistical Physics - A New Approach

The new scheme employed (throughout the thermodynamic phase space), in the statistical thermodynamic investigation of classical systems, is extended to quantum systems. Quantum Nearest Neighbor Probability Density Functions are formulated (in a manner analogous to the classical case) to provide a new quantum approach for describing structure at the microscopic level, as well as characterize the thermodynamic properties of material systems. A major point of this paper is that it relates the free energy of an assembly of interacting particles to Quantum Nearest Neighbor Probability Density Functions. Also. the methods of this paper reduces to a great extent, the degree of difficulty of the original equilibrium quantum statistical thermodynamic problem without compromising the accuracy of results. Application to the simple case of dilute, weakly degenerate gases has been outlined.Comment: Submitted for publication in Physica A journa

Generalized Buneman pruning for inferring the most parsimonious multi-state phylogeny

Accurate reconstruction of phylogenies remains a key challenge in evolutionary biology. Most biologically plausible formulations of the problem are formally NP-hard, with no known efficient solution. The standard in practice are fast heuristic methods that are empirically known to work very well in general, but can yield results arbitrarily far from optimal. Practical exact methods, which yield exponential worst-case running times but generally much better times in practice, provide an important alternative. We report progress in this direction by introducing a provably optimal method for the weighted multi-state maximum parsimony phylogeny problem. The method is based on generalizing the notion of the Buneman graph, a construction key to efficient exact methods for binary sequences, so as to apply to sequences with arbitrary finite numbers of states with arbitrary state transition weights. We implement an integer linear programming (ILP) method for the multi-state problem using this generalized Buneman graph and demonstrate that the resulting method is able to solve data sets that are intractable by prior exact methods in run times comparable with popular heuristics. Our work provides the first method for provably optimal maximum parsimony phylogeny inference that is practical for multi-state data sets of more than a few characters.Comment: 15 page

Electron Spin Resonance Above Tc In Layered Manganites

We have performed electron spin resonance (ESR) and dc magnetization measurements on single crystals of La2(1-x)Sr1+2xMn2O7 up to 800 K with special emphasis on the x = 0.4 composition. The ESR linewidth shows behavior similar to that observed in the three-dimensional perovskites and above ∼500 K can be described by a universal expression ΔHpp(T)=[C/Tχ(T)]ΔHpp (∞). The linewidth and the resonance field become anisotropic below ∼500 K. The anisotropy in the resonance field is proportional to the magnetization M, and we concluded that it is intrinsic to the system. We show that demagnetization effects can explain only part of the anisotropy. The remainder arises from short-range uniaxial terms in the Hamiltonian that are associated with the crystal field and Dzialozhinsky-Moriya interactions. The anisotropy in the linewidth is attributed to the easy-plane ferromagnetic ordering, which also arises from the short-range anisotropy.631717441311744136Ruddlesden, S.N., Popper, P., (1958) Acta Crystallogr., 11, p. 54Moritomo, Y., Asamitsu, A., Kuwahara, H., Tokura, Y., (1996) Nature (London), 380, p. 141Causa, M.T., Tovar, M., Caneiro, A., Prado, F., Ibanez, G., Ramos, C.A., Butera, A., Oseroff, S.B., (1998) Phys. Rev. B, 58, p. 3233Causa, M.T., Alejandro, G., Tovar, M., Pagliuso, P.G., Rettori, C., Oseroff, S.B., Subramanian, M.A., (1999) J. Appl. Phys., 85, p. 5408Huber, D.L., Alejandro, G., Caneiro, A., Causa, M.T., Prado, F., Tovar, M., Oseroff, S.B., (1999) Phys. Rev. B, 60, p. 12155Oseroff, S.B., Moreno, N.O., Pagliuso, P.G., Rettori, C., Huber, D.L., Gardner, J.S., Sarrao, J.L., Alascio, B.R., (2000) J. Appl. Phys., 87, p. 5810Seehra, M.S., Ibrahim, M.M., Babu, V.S., Srinivasan, G., (1996) J. Phys.: Condens. Matter, 8, p. 11283Dominguez, M., Lofland, S.E., Bhagat, S.M., Raychaudhuri, A.K., Ju, H.L., Venkates, T., Greene, R.L., (1996) Solid State Commun., 97, p. 193Lofland, S.E., Kim, P., Dahiroc, P., Bhagat, S.M., Tyagi, S.D., Karabashev, S.G., Shultyatev, D.A., Mukovskii, Y., (1997) Phys. Lett. A, 233, p. 476Kimura, T., Tomioka, Y., Kuwahara, H., Asamitsu, A., Tamura, M., Tokura, Y., (1996) Science, 274, p. 1698Perring, T.G., Aeppli, G., Moritomo, Y., Tokura, Y., (1997) Phys. Rev. Lett., 78, p. 3197Zhou, J.-S., Goodenough, J.B., Mitchell, J.F., (1998) Phys. Rev. B, 58, p. 579Zhou, J.-S., Goodenough, J.B., (1998) Phys. Rev. Lett., 80, p. 2665Kelley, T.M., Argyriou, D.N., Robinson, R.A., Nakotte, H., Mitchell, J.F., Osbron, R., Jorgensen, J.D., (1998) Physica B, 241-243, p. 439Heffner, R.H., MacLaughlin, D.E., Nieuwenhuys, G.J., Kimura, T., Luke, G.M., Tokura, Y., Uemura, Y.J., (1998) Phys. Rev. Lett., 81, p. 1706Potter, C.D., Swiatek, M., Bader, S.D., Argyriou, D.N., Mitchell, J.F., Miller, D.J., Hinks, D.G., Jorgensen, J.D., (1998) Phys. Rev. B, 57, p. 72Chauvet, O., Goglio, G., Molinie, P., Corraze, B., Brohan, L., (1998) Phys. Rev. Lett., 81, p. 1102Hirota, K., Moritomo, Y., Fujioka, H., Kubota, M., Yoshizawa, H., Endoh, Y., (1998) J. Phys. Soc. Jpn., 67, p. 3380Li, J.Q., Matsui, Y., Kimura, T., Tokura, Y., (1998) Phys. Rev. B, 57, pp. R3205Kimura, T., Kumai, R., Tokura, Y., Li, J.Q., Matsui, Y., (1998) Phys. Rev. B, 58, p. 11081Hayashi, T., Miura, N., Tokunaga, M., Kimura, T., Tokura, Y., (1998) J. Phys.: Condens. Matter, 10, p. 11525Suryanarayanan, R., Dhalenne, G., Revcolevschi, A., Prellier, W., Renard, J.P., Dupas, C., Caliebe, W., Chatterji, T., (2000) Solid State Commun., 113, p. 267Kubota, M., Fujioka, H., Ohoyama, K., Hirota, K., Moritomo, Y., Yoshizawa, H., Endoh, Y., (1999) J. Phys. Chem. Solids, 60, p. 116Bhagat, S.M., Lofland, S.E., Mitchell, J.F., (1999) Phys. Lett. A, 259, p. 326Kittel, C., (1997) Introduction to Solid State Physics, , Wiley, New YorkOkochi, M., (1970) J. Phys. Soc. Jpn., 28, p. 897Victoria, C., Barker, R.C., Yelon, A., (1967) Phys. Rev. Lett., 19, p. 792Nagata, K., (1976) J. Phys. Soc. Jpn., 40, p. 1209Nagata, K., Yamamoto, I., Takano, H., Yokozawa, Y., (1977) J. Phys. Soc. Jpn., 43, p. 857. , and references thereinHuber, D.L., Seehra, M.S., (1976) Phys. Status Solidi B, 74, p. 145Stanger, J.-L., Andre, J.-J., Turek, P., Hosokoshi, Y., Tamura, M., Kinoshita, M., Rey, P., Veciana, J., (1997) Phys. Rev. B, 55, p. 8398Van Vleck, J.H., (1950) Phys. Rev., 78, p. 266Kittel, C., (1948) Phys. Rev., 73, p. 15

The Kagome Antiferromagnet with Defects: Satisfaction, Frustration, and Spin Folding in a Random Spin System

It is shown that site disorder induces noncoplanar states, competing with the thermal selection of coplanar states, in the nearest neighbor, classical kagome Heisenberg antiferromagnet (AFM). For weak disorder, it is found that the ground state energy is the sum of energies of separately satisfied triangles of spins. This implies that disorder does not induce conventional spin glass behavior. A transformation is presented, mapping ground state spin configurations onto a folded triangular sheet (a new kind of ``spin origami'') which has conformations similar to those of tethered membranes.Comment: REVTEX, 11 pages + 3 pictures upon reques

Theoretical analysis of neutron scattering results for quasi-two dimensional ferromagnets

A theoretical study has been carried out to analyse the available results from the inelastic neutron scattering experiment performed on a quasi-two dimensional spin-1/2 ferromagnetic material $K_2CuF_4$. Our formalism is based on a conventional semi-classical like treatment involving a model of an ideal gas of vortices/anti-vortices corresponding to an anisotropic XY Heisenberg ferromagnet on a square lattice. The results for dynamical structure functions for our model corresponding to spin-1/2, show occurrence of negative values in a large range of energy transfer even encompassing the experimental range, when convoluted with a realistic spectral window function. This result indicates failure of the conventional theoretical framework to be applicable to the experimental situation corresponding to low spin systems. A full quantum formalism seems essential for treating such systems.Comment: 16 pages, 6 figures, 1 Table Submitted for publicatio

Diffusive energy transport in the S=1 Haldane chain compound AgVP2S6

We present the results of measurements of the thermal conductivity $\kappa$ of the spin S=1 chain compound AgVP_2S_6 in the temperature range between 2 and 300 K and with the heat flow directed either along or perpendicular to the chain direction. The analysis of the anisotropy of the heat transport allowed for the identification of a small but non-negligible magnon contribution $\kappa_m$ along the chains, superimposed on the dominant phonon contribution $\kappa_ph$. At temperatures above about 100 K the energy diffusion constant D_E(T), calculated from the $\kappa_m(T)$ data, exhibits similar features as the spin diffusion constant D_S(T), previously measured by NMR. In this regime, the behaviour of both transport parameters is consistent with a diffusion process that is caused by interactions inherent to one-dimensional S=1 spin systems.Comment: 6 pages, 4 figure

Magnetic properties of the frustrated AFM spinel ZnCr_2O_4 and the spin-glass Zn_{1-x}Cd_xCr_2O_4 (x=0.05,0.10)

The $T$-dependence (2- 400 K) of the electron paramagnetic resonance (EPR), magnetic susceptibility, $\chi (T)$, and specific heat, $C_{v}(T)$, of the $normal$ antiferromagnetic (AFM) spinel ZnCr$_{2}$O$_{4}$ and the spin-glass (SG) Zn$_{1-x}$Cd$_{x}$Cr$_{2}$O$_{4}$ ($x=0.05,0.10$) is reported. These systems behave as a strongly frustrated AFM and SG with $$ $\approx T_{G}\approx 12$ K and -400 K $\gtrsim \Theta_{CW}\gtrsim -500$ K. At high-$T$ the EPR intensity follows the $\chi (T)$ and the $g$-value is $T$-independent. The linewidth broadens as the temperature is lowered, suggesting the existence of short range AFM correlations in the paramagnetic phase. For ZnCr$_{2}$O$_{4}$ the EPR intensity and $\chi (T)$ decreases below 90 K and 50 K, respectively. These results are discussed in terms of nearest-neighbor Cr$^{3+}$ (S $=3/2$%) spin-coupled pairs with an exchange coupling of $| J/k| \approx$ 50 K. The appearance of small resonance modes for $T\lesssim 17$ K, the observation of a sharp drop in $\chi (T)$ and a strong peak in $C_{v}(T)$ at $T_{N}=12$ K confirms, as previously reported, the existence of long range AFM correlations in the low-$T$ phase. A comparison with recent neutron diffraction experiments that found a near dispersionless excitation at 4.5 meV for $T\lesssim T_{N}$ and a continuous gapless spectrum for $T\gtrsim T_{N}$, is also given.Comment: 17 pages, 8 figures, 1 Table. Submitted to Physical Review

The Muonium Atom as a Probe of Physics beyond the Standard Model

The observed interactions between particles are not fully explained in the successful theoretical description of the standard model to date. Due to the close confinement of the bound state muonium ($M = \mu^+ e^-$) can be used as an ideal probe of quantum electrodynamics and weak interaction and also for a search for additional interactions between leptons. Of special interest is the lepton number violating process of sponteanous conversion of muonium to antimuonium.Comment: 15 pages,6 figure

Charge disproportionation in YNiO3_{3} : ESR and susceptibility study

We present a study of the magnetic properties of YNiO$_{3}$ in the paramagnetic range, above and below the metal-insulator (MI) transition. The dc susceptibility, $\chi_{dc}$ (measured up to 1000 K) is a decreasing function of T for $T >$150 K (the N\'{e}el temperature) and we observe two different Curie-Weiss regimes corresponding to the metallic and insulator phases. In the metallic phase, this behaviour seems to be associated with the small ionic radius of Y% $^{3+}$. The value of the Curie constant for T$<$ T$_{MI}$ allows us to discard the possibility of Ni$^{3+}$ localization. An electron spin resonance (ESR) spectrum is visible in the insulator phase and only a fraction of the Ni ions contributes to this resonance. We explain the ESR and $\chi _{dc}$ behaviour for T $<$ T$_{MI}$ in terms of charge disproportionation of the type 2Ni$$ Ni$^{2+}$+Ni$^{4+},$ that is compatible with the previously observed structural transition across T$_{MI}$.Comment: 10 pages, 4 figures, submitted to Phys. Rev.