Quantum confinement effects on the ordering of the lowest-lying excited states in conjugated chains

The symmetrized density matrix renormalization group approach is applied within the extended Hubbard-Peierls model (with parameters U/t, V/t, and bond alternation \delta) to study the ordering of the lowest one-photon (1^{1}B^{-}_u) and two-photon (2^{1}A^{+}_g) states in one- dimensional conjugated systems with chain lengths, N, up to N=80 sites. Three different types of crossovers are studied, as a function of U/t, \delta, and N. The U-crossover emphasizes the larger ionic character of the 2A_g state compared to the lowest triplet excitation. The \delta crossover shows strong dependence on both N and U/t. The N-crossover illustrates the more localized nature of the 2A_g excitation relative to the 1B_u excitation at intermediate correlation strengths.Comment: Latex file; figures available upon request. Submitted to PR

Low-Lying Electronic Excitations and Nonlinear Optic Properties of Polymers via Symmetrized Density Matrix Renormalization Group Method

A symmetrized Density Matrix Renormalization Group procedure together with the correction vector approach is shown to be highly accurate for obtaining dynamic linear and third order polarizabilities of one-dimensional Hubbard and $U-V$ models. The $U-V$ model is seen to show characteristically different third harmonic generation response in the CDW and SDW phases. This can be rationalized from the excitation spectrum of the systems.Comment: 4 pages Latex; 3 eps figures available upon request; Proceedings of ICSM '96, to appear in Synth. Metals, 199

Critical exponents of the two-layer Ising model

The symmetric two-layer Ising model (TLIM) is studied by the corner transfer matrix renormalisation group method. The critical points and critical exponents are calculated. It is found that the TLIM belongs to the same universality class as the Ising model. The shift exponent is calculated to be 1.773, which is consistent with the theoretical prediction 1.75 with 1.3% deviation.Comment: 7 pages, with 10 figures include

Dynamical nonlinear optical coefficients from the symmetrized density-matrix renormalization-group method

We extend the symmetrized density-matrix renormalization-group method to compute the dynamic nonlinear optical coefficients for long chains. By computing correction vectors in the appropriate symmetry subspace, we obtain the dynamic polarizabilities, αij(ω), and third-order polarizabilities γijkl(ω,ω,ω) of the Hubbard and "U-V" chains in an all transpolyacetylene geometry, with and without dimerization. We rationalize the behavior of α̅ and γ̅ on the basis of the low-lying excitation gaps in the system. This is the first study of the dynamics of a fermionic system within the DMRG framework

Thermal Stress Analysis of Solar Thermochemical Reactor Using Concentrated Solar Radiation

Utilizing solar thermochemical reactor to convert exhaust gas into high-quality clean fuel by concentrated solar radiation is a valuable way to develop renewable energy. Due to the high working temperature, the issue of reactor damage occurs easily as found during the course of the experiment. In order to find out the reasons, some thermal stress simulation and analysis of solar thermochemical reactor were made in this article. The areas where thermal stress is concentrated were investigated in the contour simulation results. Based on the analysis, some suggestions for structural optimization for further research were formulated. Keywords: solar thermochemical, thermal stress, heat transfer and flow, reacto

Thorium-doping induced superconductivity up to 56 K in Gd1-xThxFeAsO

Following the discovery of superconductivity in an iron-based arsenide LaO1-xFxFeAs with a superconducting transition temperature (Tc) of 26 K[1], Tc was pushed up surprisingly to above 40 K by either applying pressure[2] or replacing La with Sm[3], Ce[4], Nd[5] and Pr[6]. The maximum Tc has climbed to 55 K, observed in SmO1-xFxFeAs[7, 8] and SmFeAsO1-x[9]. The value of Tc was found to increase with decreasing lattice parameters in LnFeAsO1-xFx (Ln stands for the lanthanide elements) at an apparently optimal doping level. However, the F- doping in GdFeAsO is particularly difficult[10,11] due to the lattice mismatch between the Gd2O2 layers and Fe2As2 layers. Here we report observation of superconductivity with Tc as high as 56 K by the Th4+ substitution for Gd3+ in GdFeAsO. The incorporation of relatively large Th4+ ions relaxes the lattice mismatch, hence induces the high temperature superconductivity.Comment: 4 pages, 3 figure