Coulomb correlations and optical gap in polyacetylene
نویسندگان
چکیده
منابع مشابه
The Coulomb gap and low energy statistics for Coulomb glasses
We study the statistics of local energy minima in the configuration space of two-dimensional lattice Coulomb glasses with site disorder and the behavior of the Coulomb gap depending on the strength of random site energies. At intermediate disorder, i.e., when the typical strength of the disorder is of the same order as the nearest-neighbor Coulomb energy, the high energy tail of the distributio...
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The bond length alternation (BLA), the highest-occupied-lowest-unoccupied (HO-LU) orbital energy gap, and the corresponding excitation energy are determined for trans-polyacetylene (PA) and polyyne (PY) using density functional theory. Results from the Coulomb-attenuated CAM-B3LYP functional are compared with those from the conventional BHHLYP and B3LYP hybrid functionals. BLA values and HO-LU ...
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We present a theoretical calculation, within a continuum electron-phonon-coupled model, of the optical absorption due to polarons in polyacetylene [{CH),]. Our results can be applied to both transand cis-(CH)„, as well as potentially to other polymers (polypyroles, polyparaphenylenes) in which polarons are present. We establish that the essential signature of polaron absorption is the existence...
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A. CAMJAYI, K. HAULE, V. DOBROSAVLJEVIĆ AND G. KOTLIAR* Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA Departamento de Fı́sica, Comisión Nacional de Energı́a Atómica (CNEA), Avenida General Paz y Constituyentes, 1650 San Martı́n, Argentina Department of Physics and National High Magnetic Field Laboratory, Florida State University, Tallahassee, Florida 32...
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The optical reflectance of polyacetylene doped with high concentrations of potassium has been measured, and the optical properties estimated by Kramers–Kronig analysis. The samples, doped by a vapor-phase technique to y ≈ 0.08 and 0.18, showed strong doping-induced infrared absorption at ∼900, 1270, and 1390 cm−1. These experiments were motivated by calculations of the infrared absorption which...
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ژورنال
عنوان ژورنال: Synthetic Metals
سال: 1987
ISSN: 0379-6779
DOI: 10.1016/0379-6779(87)90708-9