Equilibrium Properties of Quantum Spin Systems with Non-additive Long-Range Interactions

We study equilibrium states of quantum spin systems with non-additive long-range interactions by adopting an appropriate scaling of the interaction strength, i.e., the so called Kac prescription. In classical spin systems, it is known that the equilibrium free energy is obtained by minimizing the free energy functional over the coarse-grained magnetization. Here we show that it is also true for quantum spin systems. From this observation, it is found that when the canonical ensemble and the microcanonical ensemble are not equivalent in some parameter region, it is not necessarily justified to replace the actual long-range interaction by the infinite-range interaction (Curie-Weiss type interaction). On the other hand, in the parameter region where the two ensembles are equivalent, this replacement is always justified. We examine the Heisenberg XXZ model as an illustrative example, and discuss the relation to experiments.Comment: 13 pages, two columns; to appear in Phys. Rev.

Multi-Orbital Molecular Compound (TTM-TTP)I_3: Effective Model and Fragment Decomposition

The electronic structure of the molecular compound (TTM-TTP)I_3, which exhibits a peculiar intra-molecular charge ordering, has been studied using multi-configuration ab initio calculations. First we derive an effective Hubbard-type model based on the molecular orbitals (MOs) of TTM-TTP; we set up a two-orbital Hamiltonian for the two MOs near the Fermi energy and determine its full parameters: the transfer integrals, the Coulomb and exchange interactions. The tight-binding band structure obtained from these transfer integrals is consistent with the result of the direct band calculation based on density functional theory. Then, by decomposing the frontier MOs into two parts, i.e., fragments, we find that the stacked TTM-TTP molecules can be described by a two-leg ladder model, while the inter-fragment Coulomb energies are scaled to the inverse of their distances. This result indicates that the fragment picture that we proposed earlier [M.-L. Bonnet et al.: J. Chem. Phys. 132 (2010) 214705] successfully describes the low-energy properties of this compound.Comment: 5 pages, 4 figures, published versio

Lifetime-Extended MCP-PMT

In order to develop a long-lifetime MCP-PMT under high rates of circumstance, we investigated the degradation of the quantum efficiency (QE) of PMT's with a multialkali photocathode. We found that not only positive ions, but also neutral residual gases would damage the photocathode resulting in an enhancement of the work function; their countermeasures were established in newly manufactured square-shaped MCP-PMT's with 4 or 4x4 multi-anodes. The performances of the PMT's were measured: QE was stable up to an integrated amount of anode output charge of 2-3 C/cm^2, while keeping other basic performances steady, such as the time resolution for single photons of ~40 ps, a photoelectron collection efficiency (CE) of 60%, a multiplication gain (G) of a few x 10^6, and dark counts of 20-300 Hz. The causes of QE degradation are discussed.Comment: 14 pages, 7 figure

Magnetic Phase Diagram of Frustrated Spin Ladder

Frustrated spin ladders show magnetization plateaux depending on the rung-exchange interaction and frustration defined by the ratio of first and second neighbor exchange interactions in each chain. This paper is the first report on its magnetic phase diagram. Using the variational matrix-product state method, we accurately determine phase boundaries. Several kinds of magnetization plateaux are induced by the frustration and the strong correlation among quasi-particles on a lattice. The appropriate description of quasi-particles and their relevant interactions are changed by a magnetic field. We find that the frustration differentiates the triplet quasi-particle from the singlet one in kinetic energy.Comment: 11 pages, 4 figure

First-Principles Study of Electronic Structure in α\alpha-(BEDT-TTF)2_2I3_3 at Ambient Pressure and with Uniaxial Strain

Within the framework of the density functional theory, we calculate the electronic structure of $\alpha$-(BEDT-TTF)$_2$I$_3$ at 8K and room temperature at ambient pressure and with uniaxial strain along the $a$- and $b$-axes. We confirm the existence of anisotropic Dirac cone dispersion near the chemical potential. We also extract the orthogonal tight-binding parameters to analyze physical properties. An investigation of the electronic structure near the chemical potential clarifies that effects of uniaxial strain along the a-axis is different from that along the b-axis. The carrier densities show $T^2$ dependence at low temperatures, which may explain the experimental findings not only qualitatively but also quantitatively.Comment: 10 pages, 7 figure