243 research outputs found
Excitons in soliton and bipolaron lattice states of doped Peierls systems
Exciton effects on soliton and bipolaron lattice states are investigated
using an electron-lattice Peierls model with long-range Coulomb interactions.
The Hartree-Fock (HF) approximation and the single-excitation
configuration-interaction (single-CI) method are used to obtain optical
absorption spectra. We discuss the following properties: (1) The attraction
between the excited electron and the remaining hole makes the excitation energy
smaller when the correlations are taken into account by the single-CI. The
oscillator strengths of the lower excited states become relatively larger than
in the HF calculations. (2) We look at variations of relative oscillator
strengths of two or three kinds of excitons described by the single-CI. While
the excess-electron concentration is small, the ratio of the oscillator
strengths of the exciton with the lowest energy, which is calculated against
the total electronic excitation oscillator strengths, increases almost
linearly. The oscillator strengths accumulate at this exciton as the
concentration increases.Comment: See http://www.etl.go.jp/People/harigaya/ 1) The pointers which link
to physics related WWW sites - especially in Japan - are summarized in the
"WWW for Physics" section: http://www.etl.go.jp/People/harigaya/PHYS_WWW.html
2) The obtained PHYS-FAQ documents (related to the fj.sci.physics - fj means
'from Japan' -) and several useful pointers are listed in the "Physics Forum"
section: http://www.etl.go.jp/People/harigaya/PHYS_FAQ.htm
Long-Range Excitons in Optical Absorption Spectra of Electroluminescent Polymer Poly(para-phenylenevinylene)
The component of photoexcited states with large spatial extent is
investigated for poly(para-phenylenevinylene) using the intermediate exciton
theory. We find a peak due to long-range excitons at the higher-energy side of
the lowest main feature of optical spectra. The fact that the onset of
long-range excitons is located near the energy gap is related to the mechanisms
of large photocurrents measured in such energy regions. We show that a large
value of the hopping integral is realistic for characterizing optical
excitations.Comment: To be published in J. Phys. Soc. Jpn. (Letters
Competition between spin and charge polarized states in nanographene ribbons with zigzag edges
Effects of the nearest neighbor Coulomb interaction on nanographene ribbons
with zigzag edges are investigated using the extended Hubbard model within the
unrestricted Hartree-Fock approximation. The nearest Coulomb interaction
stabilizes a novel electronic state with the opposite electric charges
separated and localized along both edges, resulting in a finite electric dipole
moment pointing from one edge to the other. This charge-polarized state
competes with the peculiar spin-polarized state caused by the on-site Coulomb
interaction and is stabilized by an external electric field.Comment: 4 pages; 4 figures; accepted for publication in Phys. Rev. B; related
Web site: http://staff.aist.go.jp/k.harigaya/index_E.htm
Flat-band ferromagnetism induced by off-site repulsions
Density matrix renormalization group method is used to analyze how the
nearest-neighbor repulsion V added to the Hubbard model on 1D triangular
lattice and a railway trestle (t-t') model will affect the electron-correlation
dominated ferromagnetism arising from the interference (frustration). Obtained
phase diagram shows that there is a region in smaller-t' side where the
critical on-site repulsion above which the system becomes ferromagnetic is
reduced when the off-site repulsion is introduced.Comment: 4 pages, RevTex, 6 figures in Postscript, to be published in Phys.
Rev.
Correlated theory of triplet photoinduced absorption in phenylene-vinylene chains
In this paper we present results of large-scale correlated calculations of
triplet photoinduced absorption (PA) spectrum of oligomers of
poly-(para)phenylenevinylene (PPV) containing up to five phenyl rings. In
particular, the high-energy features in the triplet PA spectrum of oligo-PPVs
are the focus of this study, which, so far, have not been investigated
theoretically, or experimentally. The calculations were performed using the
Pariser-Parr-Pople (PPP) model Hamiltonian, and many-body effects were taken
into account by means of multi-reference singles-doubles configuration
interaction procedure (MRSDCI), without neglecting any molecular orbitals. The
computed triplet PA spectrum of oligo-PPVs exhibits rich structure consisting
of alternating peaks of high and low intensities. The predicted higher energy
features of the triplet spectrum can be tested in future experiments.
Additionally, theoretical estimates of exciton binding energy are also
presented.Comment: To appear in Phys. Rev.
A theoretical investigation of the low lying electronic structure of poly(p-phenylene vinylene)
The two-state molecular orbital model of the one-dimensional phenyl-based
semiconductors is applied to poly(p-phenylene vinylene). The energies of the
low-lying excited states are calculated using the density matrix
renormalization group method. Calculations of both the exciton size and the
charge gap show that there are both Bu and Ag excitonic levels below the band
threshold. The energy of the 1Bu exciton extrapolates to 2.60 eV in the limit
of infinite polymers, while the energy of the 2Ag exciton extrapolates to 2.94
eV. The calculated binding energy of the 1Bu exciton is 0.9 eV for a 13
phenylene unit chain and 0.6 eV for an infinite polymer. This is expected to
decrease due to solvation effects. The lowest triplet state is calculated to be
at ca. 1.6 eV, with the triplet-triplet gap being ca. 1.6 eV. A comparison
between theory, and two-photon absorption and electroabsorption is made,
leading to a consistent picture of the essential states responsible for most of
the third-order nonlinear optical properties. An interpretation of the
experimental nonlinear optical spectroscopies suggests an energy difference of
ca. 0.4 eV between the vertical energy and ca. 0.8 eV between the relaxed
energy, of the 1Bu exciton and the band gap, respectively.Comment: LaTeX, 19 pages, 7 eps figures included using epsf. To appear in
Physical Review B, 199
Effect of interchain separation on the photoinduced absorption spectra of polycarbazolyldiacetylenes
The photoinduced absorption spectra of a novel polycarbazolyldiacetylene with long aliphatic chains on the carbazolyl side groups are measured and compared with those of the unsubstituted polyDCHD. The two polymers in the blue form exhibit very similar electronic absorption spectra and Raman frequencies. This fact indicates that the conjugation length of the polydiacetylene backbone is not too affected by the long substituents. In contrast, the near steady-state photoinduced absorption spectra show that different photogeneration mechanisms are involved in the two polymers. This result can be ascribed to the role played by the interchain distance in the dynamics of the relaxation processes in polydiacetylenes
Theory of excited state absorptions in phenylene-based -conjugated polymers
Within a rigid-band correlated electron model for oligomers of
poly-(paraphenylene) (PPP) and poly-(paraphenylenevinylene) (PPV), we show that
there exist two fundamentally different classes of two-photon A states in
these systems to which photoinduced absorption (PA) can occur. At relatively
lower energies there occur A states which are superpositions of one
electron - one hole (1e--1h) and two electron -- two hole (2e--2h) excitations,
that are both comprised of the highest delocalized valence band and the lowest
delocalized conduction band states only. The dominant PA is to one specific
member of this class of states (the mA). In addition to the above class of
A states, PA can also occur to a higher energy kA state whose 2e--2h
component is {\em different} and has significant contributions from excitations
involving both delocalized and localized bands. Our calculated scaled energies
of the mA and the kA agree reasonably well to the experimentally
observed low and high energy PAs in PPV. The calculated relative intensities of
the two PAs are also in qualitative agreement with experiment. In the case of
ladder-type PPP and its oligomers, we predict from our theoretical work a new
intense PA at an energy considerably lower than the region where PA have been
observed currently. Based on earlier work that showed that efficient
charge--carrier generation occurs upon excitation to odd--parity states that
involve both delocalized and localized bands, we speculate that it is the
characteristic electronic nature of the kA that leads to charge generation
subsequent to excitation to this state, as found experimentally.Comment: Revtex4 style, 2 figures inserted in the text, three tables, 10 page
Whole-Genome Sequencing of Sake Yeast Saccharomyces cerevisiae Kyokai no. 7
The term ‘sake yeast’ is generally used to indicate the Saccharomyces cerevisiae strains that possess characteristics distinct from others including the laboratory strain S288C and are well suited for sake brewery. Here, we report the draft whole-genome shotgun sequence of a commonly used diploid sake yeast strain, Kyokai no. 7 (K7). The assembled sequence of K7 was nearly identical to that of the S288C, except for several subtelomeric polymorphisms and two large inversions in K7. A survey of heterozygous bases between the homologous chromosomes revealed the presence of mosaic-like uneven distribution of heterozygosity in K7. The distribution patterns appeared to have resulted from repeated losses of heterozygosity in the ancestral lineage of K7. Analysis of genes revealed the presence of both K7-acquired and K7-lost genes, in addition to numerous others with segmentations and terminal discrepancies in comparison with those of S288C. The distribution of Ty element also largely differed in the two strains. Interestingly, two regions in chromosomes I and VII of S288C have apparently been replaced by Ty elements in K7. Sequence comparisons suggest that these gene conversions were caused by cDNA-mediated recombination of Ty elements. The present study advances our understanding of the functional and evolutionary genomics of the sake yeast
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