21,212 research outputs found
Charge Fluctuations in Geometrically Frustrated Charge Ordering System
Effects of geometrical frustration in low-dimensional charge ordering systems
are theoretically studied, mainly focusing on dynamical properties. We treat
extended Hubbard models at quarter-filling, where the frustration arises from
competing charge ordered patterns favored by different intersite Coulomb
interactions, which are effective models for various charge transfer-type
molecular conductors and transition metal oxides. Two different lattice
structures are considered: (a) one-dimensional chain with intersite Coulomb
interaction of nearest neighbor V_1 and that of next-nearest neighbor V_2, and
(b) two-dimensional square lattice with V_1 along the squares and V_2 along one
of the diagonals. From previous studies, charge ordered insulating states are
known to be unstable in the frustrated region, i.e., V_1 \simeq 2V_2 for case
(a) and V_1 \simeq V_2 for case (b), resulting in a robust metallic phase even
when the interaction strenghs are strong. By applying the Lanczos exact
diagonalization to finite-size clusters, we have found that fluctuations of
different charge order patterns exist in the frustration-induced metallic
phase, showing up as characteristic low energy modes in dynamical correlation
functions. Comparison of such features between the two models are discussed,
whose difference will be ascribed to the dimensionality effect. We also point
out incommensurate correlation in the charge sector due to the frustration,
found in one-dimensional clusters.Comment: 8 pages, 9 figure
Electronic properties of correlated metals in the vicinity of a charge order transition: optical spectroscopy of -(BEDT-TTF)Hg(SCN) ( = NH, Rb, Tl)
The infrared spectra of the quasi-two-dimensional organic conductors
-(BEDT-TTF)Hg(SCN) ( = NH, Rb, Tl) were measured in
the range from 50 to 7000 \cm down to low temperatures in order to explore the
influence of electronic correlations in quarter-filled metals. The
interpretation of electronic spectra was confirmed by measurements of pressure
dependant reflectance of -(BEDT-TTF)KHg(SCN) at T=300 K. The
signatures of charge order fluctuations become more pronounced when going from
the NH salt to Rb and further to Tl compounds. On reducing the temperature,
the metallic character of the optical response in the NH and Rb salts
increases, and the effective mass diminishes. For the Tl compound, clear
signatures of charge order are found albeit the metallic properties still
dominate. From the temperature dependence of the electronic scattering rate the
crossover temperature is estimated below which the coherent charge-carriers
response sets in. The observations are in excellent agreement with recent
theoretical predictions for a quarter-filled metallic system close to charge
order
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
Refactoring, reengineering and evolution: paths to Geant4 uncertainty quantification and performance improvement
Ongoing investigations for the improvement of Geant4 accuracy and
computational performance resulting by refactoring and reengineering parts of
the code are discussed. Issues in refactoring that are specific to the domain
of physics simulation are identified and their impact is elucidated.
Preliminary quantitative results are reported.Comment: To be published in the Proc. CHEP (Computing in High Energy Physics)
201
Finite-temperature phase transitions in quasi-one-dimensional molecular conductors
Phase transitions in 1/4-filled quasi-one-dimensional molecular conductors
are studied theoretically on the basis of extended Hubbard chains including
electron-lattice interactions coupled by interchain Coulomb repulsion. We apply
the numerical quantum transfer-matrix method to an effective one-dimensional
model, treating the interchain term within mean-field approximation.
Finite-temperature properties are investigated for the charge ordering, the
"dimer Mott" transition (bond dimerization), and the spin-Peierls transition
(bond tetramerization). A coexistent state of charge order and bond
dimerization exhibiting dielectricity is predicted in a certain parameter
range, even when intrinsic dimerization is absent.Comment: to be published in J. Phys. Soc. Jpn., Vol. 76 (2007) No. 1 (5 pages,
4 figures); typo correcte
Automated verification of shape, size and bag properties.
In recent years, separation logic has emerged as a contender for formal reasoning of heap-manipulating imperative programs. Recent works have focused on specialised provers that are mostly based on fixed sets of predicates. To improve expressivity, we have proposed a prover that can automatically handle user-defined predicates. These shape predicates allow programmers to describe a wide range of data structures with their associated size properties. In the current work, we shall enhance this prover by providing support for a new type of constraints, namely bag (multi-set) constraints. With this extension, we can capture the reachable nodes (or values) inside a heap predicate as a bag constraint. Consequently, we are able to prove properties about the actual values stored inside a data structure
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]
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