15,711 research outputs found
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
Quasiparticle Interference on the Surface of Topological Crystalline Insulator Pb(1-x)Sn(x)Se
Topological crystalline insulators represent a novel topological phase of
matter in which the surface states are protected by discrete point
group-symmetries of the underlying lattice. Rock-salt lead-tin-selenide alloy
is one possible realization of this phase which undergoes a topological phase
transition upon changing the lead content. We used scanning tunneling
microscopy (STM) and angle resolved photoemission spectroscopy (ARPES) to probe
the surface states on (001) PbSnSe in the topologically
non-trivial (x=0.23) and topologically trivial (x=0) phases. We observed
quasiparticle interference with STM on the surface of the topological
crystalline insulator and demonstrated that the measured interference can be
understood from ARPES studies and a simple band structure model. Furthermore,
our findings support the fact that PbSnSe and PbSe have
different topological nature.Comment: 5 pages, 4 figure
Multiple conducting carriers generated in LaAlO3/SrTiO3 heterostructures
We have found that there is more than one type of conducting carriers
generated in LaAlO3/SrTiO3 heterostructures by comparing the sheet carrier
density and mobility from optical transmission spectroscopy with those from
dc-transport measurements. When multiple types of carriers exist, optical
characterization dominantly reflects the contribution from the high-density
carriers whereas dc-transport measurements may exaggerate the contribution of
the high-mobility carriers even though they are present at low-density. Since
the low-temperature mobilities determined by dc-transport in the LaAlO3/SrTiO3
heterostructures are much higher than those extracted by optical method, we
attribute the origin of high-mobility transport to the low-density conducting
carriers.Comment: 3 figures, supplemental materia
Charge Ordering in Organic ET Compounds
The charge ordering phenomena in quasi two-dimensional 1/4-filled organic
compounds (ET)_2X (ET=BEDT-TTF) are investigated theoretically for the
and -type structures, based on the Hartree approximation for the
extended Hubbard models with both on-site and intersite Coulomb interactions.
It is found that charge ordered states of stripe-type are stabilized for the
relevant values of Coulomb energies, while the spatial pattern of the stripes
sensitively depends on the anisotropy of the models. By comparing the results
of calculations with the experimental facts, where the effects of quantum
fluctuation is incorporated by mapping the stripe-type charge ordered states to
the S=1/2 Heisenberg Hamiltonians, the actual charge patterns in the insulating
phases of -(ET)_2MM'(SCN)_4 and -(ET)_2I_3 are deduced.
Furthermore, to obtain a unified view among the , and
-(ET)_2X families, the stability of the charge ordered state in
competition with the dimeric antiferromagnetic state viewed as the Mott
insulating state, which is typically realized in -type compounds, and
with the paramagnetic metallic state, is also pursued by extracting essential
parameters.Comment: 35 pages, 27 figures, submitted to J. Phys. Soc. Jp
Tunable magnetic interaction at the atomic scale in oxide heterostructures
We report on a systematic study of a number of structurally identical but
chemically distinct transition metal oxides in order to determine how the
material-specific properties such as the composition and the strain affect the
properties at the interface of heterostructures. Our study considers a series
of structures containing two layers of ferromagnetic SrRuO3, with
antiferromagnetic insulating manganites sandwiched in between. The results
demonstrate how to control the strength and relative orientation of interfacial
ferromagnetism in correlated electron materials by means of valence state
variation and substrate-induced strain, respectively
Assembly and force measurement with SPM-like probes in holographic optical tweezers
We report a high fidelity tomographic reconstruction of the quantum state of photon pairs generated by parametric down-conversion with orbital angular momentum (OAM) entanglement. Our tomography method allows us to estimate an upper and lower bound for the entanglement between the down-converted photons. We investigate the two-dimensional state subspace defined by the OAM states ±â and superpositions thereof, with â=1, 2, ..., 30. We find that the reconstructed density matrix, even for OAMs up to around â=20, is close to that of a maximally entangled Bell state with a fidelity in the range between F=0.979 and F=0.814. This demonstrates that, although the single count-rate diminishes with increasing â, entanglement persists in a large dimensional state space
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