Quantum Melting of Charge Order due to Frustration in Two-Dimensional Quarter-Filled Systems

The effect of geometrical frustration in a two-dimensional 1/4-filled strongly correlated electron system is studied theoretically, motivated by layered organic molecular crystals. An extended Hubbard model on the square lattice is considered, with competing nearest neighbor Coulomb interaction, V, and that of next-nearest neighbor along one of the diagonals, V', which favor different charge ordered states. Based on exact diagonalization calculations, we find a metallic phase stabilized over a broad window at V' ~ V even for large Coulomb repulsion strengths as a result of frustrating the charge ordered states. Slightly modifying the lattice geometry relevant to the actual organic compounds does not alter the results, suggesting that this `quantum melting' of charge order is a robust feature of frustrated strongly correlated 1/4-filled systems.Comment: 5 pages, 4 figures, to be published in Phys. Rev.

Inverted polymer fullerene solar cells exceeding 10% efficiency with poly(2-ethyl-2-oxazoline) nanodots on electron-collecting buffer layers

Polymer solar cells have been spotlighted due to their potential for low-cost manufacturing but their efficiency is still less than required for commercial application as lightweight/flexible modules. Forming a dipole layer at the electron-collecting interface has been suggested as one of the more attractive approaches for efficiency enhancement. However, only a few dipole layer material types have been reported so far, including only one non-ionic (charge neutral) polymer. Here we show that a further neutral polymer, namely poly(2-ethyl-2-oxazoline) (PEOz) can be successfully used as a dipole layer. Inclusion of a PEOz layer, in particular with a nanodot morphology, increases the effective work function at the electron-collecting interface within inverted solar cells and thermal annealing of PEOz layer leads to a state-of-the-art 10.74% efficiency for single-stack bulk heterojunction blend structures comprising poly[4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b′]dithiophene-alt-3-fluorothieno[3,4-b]thiophene-2-carboxylate] as donor and [6,6]-phenyl-C71-butyric acid methyl ester as acceptor

Growth Dynamics of Photoinduced Domains in Two-Dimensional Charge-Ordered Conductors Depending on Stabilization Mechanisms

Photoinduced melting of horizontal-stripe charge orders in quasi-two-dimensional organic conductors \theta-(BEDT-TTF)2RbZn(SCN)4[BEDT-TTF=bis(ethylenedithio)tetrathiafulvalene] and \alpha-(BEDT-TTF)2I3 is investigated theoretically. By numerically solving the time-dependent Schr\"odinger equation, we study the photoinduced dynamics in extended Peierls-Hubbard models on anisotropic triangular lattices within the Hartree-Fock approximation. The melting of the charge order needs more energy for \theta-(BEDT-TTF)2RbZn(SCN)4 than for \alpha-(BEDT-TTF)2I3, which is a consequence of the larger stabilization energy in \theta-(BEDT-TTF)2RbZn(SCN)4. After local photoexcitation in the charge ordered states, the growth of a photoinduced domain shows anisotropy. In \theta-(BEDT-TTF)2RbZn(SCN)4, the domain hardly expands to the direction perpendicular to the horizontal-stripes. This is because all the molecules on the hole-rich stripe are rotated in one direction and those on the hole-poor stripe in the other direction. They modulate horizontally connected transfer integrals homogeneously, stabilizing the charge order stripe by stripe. In \alpha-(BEDT-TTF)2I3, lattice distortions locally stabilize the charge order so that it is easily weakened by local photoexcitation. The photoinduced domain indeed expands in the plane. These results are consistent with recent observation by femtosecond reflection spectroscopy.Comment: 9 pages, 8 figures, to appear in J. Phys. Soc. Jpn. Vol. 79 (2010) No.

Charge ordering in theta-(BEDT-TTF)_2 X materials

We investigate theoretically charge ordered states on the anisotropic triangular lattice characteristic of the theta-(BEDT-TTF)_2 X materials. Using exact diagonalization studies, we establish that the charge order (CO) pattern corresponds to a ``horizontal'' stripe structure, with ...1100... CO along the two directions with larger electron hopping (p-directions), and ...1010... CO along the third direction (c-direction). The CO is accompanied by co-operative bond dimerizations along all three directions in the highest spin state. In the lowest spin state bonds along the p-directions are tetramerized. Our theory explains the occurence of a charge-induced high temperature transition as well as a spin gap transition at lower temperature.Comment: 4 pages, 4 eps figures, uses jpsj2.cl

Optical Conductivity of the Trellis-Lattice t-J Model: Charge Fluctuations in NaV_2O_5

Optical conductivity of the trellis lattice t-J model at quarter filling is calculated by an exact-diagonalization technique on small clusters, whereby the valence state of V ions of NaV_2O_5 is considered. We show that the experimental features at \sim 1 eV, including peak positions, presence of shoulders, and anisotropic spectral weight, can be reproduced in reasonable range of parameter values, only by assuming that the system is in the charge disproportionated ground state. Possible reconciliation with experimental data suggesting the presence of uniform ladders at T>T_c is discussed.Comment: 4 pages, 4 gif figures. Minor revisions have been made. Hardcopies of figures (or the entire manuscript) can be obtained by e-mail request to [email protected]