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Study of complex impedance spectroscopic properties of La <sub/> 0.7? <i>x</i> </sub> Dy <i> <sub/>x</sub></i> Sr <sub/>0.3</sub> MnO <sub/>3</sub> perovskite oxides
摘要： The dysprosium perovskite La0.72xDyxSr0.3MnO3 [LSMO] and 0.03 [LDSMO]) compounds were prepared by the sol–gel reaction and characterized by the X-ray diffraction technique. The electrical conductivity and modulus characteristics of the system have been investigated in the temperature and the frequency range 311–356 K and 209–5 (cid:2) 107 Hz, respectively, by means of impedance spectroscopy. The ac and dc conductivities were studied to explore the mechanisms of conduction of LSMO and LDSMO. The insertion of a small amount of Dy3t in the La-site of LSMO perovskite oxide increases the value of the activation energy from 0.2106 to 0.5357 eV and enhances electrical resistivity values for almost two orders of magnitude.
关键词： the non-overlapping small polaron tunneling,impedance spectroscopy,correlated barrier hopping,modulus,ac conductivity
更新于2025-09-10 09:29:36
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Magnetic field effect on polaron recombination in conjugated polymers
摘要： By using the one-dimensional tight-binding model, we theoretically investigate the effect of magnetic field on the collision of the oppositely charged polarons with their spin antiparallel in cis-polyacetylene. We adopt the non-adiabatic approach to simulate the dynamical evolution of polaron spin. Under the effect of electric field with a moderate strength, the polarons initially localized at the chain-end of polyacetylene move towards each other. During the collision process, an obvious spin precession is obtained, and the precession period is found to be inversely proportional to the strength of magnetic field. While after including electron-electron interaction in form of Hubbard model, the period is no longer constant. With the decrease of distance between the oppositely charged polarons, the precession of their spin slows down. We also find that there is a critical value of electron-electron interaction strength, over which the spin precession of polaron disappears. In addition, we demonstrate that under the effect of magnetic field, the polarons could recombine or pass through each other to form the singlet exciton, rather than be dissociated after collision between them with the strong electron-electron interaction, and then the electroluminescence efficiency of organic optoelectronic devices is improved.
关键词： polaron,conjugated polymer,Zeeman effect,electron-electron interaction,spin precession,magneto-electroluminescence
更新于2025-09-10 09:29:36
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A polaron approach to photorefractivity in Fe : LiNbO<sub>3</sub>
摘要： The thermally activated, incoherent hopping of small electron polarons generated by continuous illumination in iron-doped lithium niobate is simulated by a Marcus-Holstein model for which all the input parameters are known from literature. The results of the calculations are compared with a comprehensive set of data obtained from photorefractive, photogalvanic and photoconductive measurements under green light excitation on samples with different doping levels and stoichiometries and composition dependence of the photorefractive observables can be interpreted by a change in the abundance of the different hop types that a polaron performs before being captured by a deep Fe trap. Moreover, by a comparison between experimental and numerical data we obtain new insights on the initial photo-excitation part of the photorefractive process. In particular all results are consistent if a single value of the photogalvanic length LP G = (1.44 ± 0.05) ? is assumed for all the samples and all the temperatures. The photo-generation efficiency φ under green light excitation (somewhere denoted as quantum efficiency) is also estimated. It appears to decrease from 10-15% at room temperature to about 5% at 150K. This behavior is qualitatively interpreted in terms of a temperature-dependent re-trapping probability of the light-emitted particles from the initial Fe donor center.
关键词： photo-generation efficiency,polaron,photogalvanic length,Fe:LiNbO3,Marcus-Holstein model,photorefractivity
更新于2025-09-09 09:28:46
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Structural, Optical, and Magnetic Properties of Hydrothermally Grown Fe-Doped ZnO Nanorod Arrays on Glass Substrate
摘要： In this paper, undoped and Fe-doped ZnO nanorod arrays were grown on glass substrate by a facile hydrothermal method. Structural, optical, and magnetic properties of the prepared nanorods were investigated. Structural investigation clearly showed that the prepared nanorods had single phase wurtzite structure without any secondary phases and the prepared undoped and Fe-doped nanorods were grown vertically. The optical characterization revealed that the optical band gap of ZnO nanorods was decreased by increasing the value of Fe concentration. Furthermore, the formation of diluted magnetic semiconductor nanorod arrays was verified. The origin of room temperature ferromagnetism is explained by the bound magnetic polaron concept.
关键词： Diluted magnetic semiconductors,Bound magnetic polaron,Nanorod arrays,Fe-doped ZnO
更新于2025-09-09 09:28:46
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Impact of Molecular Order on Polaron Formation in Conjugated Polymers
摘要： The nature of polaron formation has profound implications on the transport of charge carriers in conjugated polymers, but still remains poorly understood. Here we develop in situ electrochemical resonant Raman spectroscopy, a powerful structural probe that allows direct observation of polaron formation. We report that polaron formation in ordered poly(3-hexyl)thiophene (P3HT) polymer domains (crystalline phase) results in less pronounced changes in molecular conformation, indicating smaller lattice relaxation, compared to polarons generated in disordered polymer domains (amorphous phase) for which we observe large molecular conformational changes. These conformational changes are directly related to the effective conjugation length of the polymer. Furthermore, we elucidate how blending the P3HT polymer with phenyl C-61 butyric acid methyl ester (PCBM) affects polaron formation in the polymer. We find that blending disturbs polymer crystallinity, reducing the density of polarons that can form upon charge injection at the same potential, whilst the lost capacity is partly restored during post-deposition thermal annealing. Our study provides direct spectroscopic evidence for a lower degree of lattice reorganisation in crystalline (and therefore more planarised) polymers than in conformationally disordered polymers. This observation is consistent with higher charge carrier mobility and better device performance commonly found in crystalline polymer materials.
关键词： electrochemical resonant Raman spectroscopy,conjugated polymers,polaron formation,molecular order,PCBM,charge transport,P3HT
更新于2025-09-09 09:28:46
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Geometry Distortion and Small Polaron Binding Energy Changes with Ionic Substitution in Halide Perovskites
摘要： Halide perovskites have demonstrated remarkable performance in optoelectronic applications. Despite extraordinary progress, questions remain about device stability. We report an in-depth computational study of small polaron formation, electronic structure, charge density, and reorganization energies of several experimentally relevant halide perovskites using isolated clusters. Local lattice symmetry, electronic structure, and electron-phonon coupling are interrelated in polaron formation in these materials. To illustrate this, first principles calculations are performed on (MA/Cs/FA)Pb(I/Br)3 and MASnI3. Across the materials studied, electron small polaron formation is manifested by Jahn-Teller like distortions in the central octahedron, with apical PbI bonds expanding significantly more than the equatorial bonds. In contrast, hole polarons cause the central octahedron to uniformly contract. This difference in manifestation of electron and hole polaron formation can be a tool to determine what is taking place in individual systems to systematically control performance. Other trends as the anion and cations are changed, are established for optimization in specific optoelectronic applications.
关键词： optoelectronic applications,reorganization energies,Jahn-Teller distortions,charge density,Halide perovskites,small polaron formation,electronic structure
更新于2025-09-09 09:28:46
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Torsionally induced exciton localization and decoherence in <i>π</i> -conjugated polymers
摘要： We develop a model of excitons coupled to the rotational motion of monomers to study the torsionally induced relaxation and decoherence of excitons in π-conjugated polymers. The model assumes that the monomer units are described by elastically uncoupled harmonic oscillators and that there is a linear exciton-roton coupling. Although the rotational degrees of freedom are much slower than the exciton, so that the adiabatic approximation is generally expected to be valid, we also investigate possible quantized roton corrections via coupled time evolving block decimation-Ehrenfest equations of motion. For the relaxation of the lowest-excited exciton, we find that (1) for a polymer chain with a ground state spiral torsional conformation, the equilibrium angular displacement of each monomer is proportional to the difference of the exciton bond-orders on the neighboring bridging bonds. Consequently, this displacement vanishes in the long chain limit and a classical (Landau) exciton-polaron is not formed. (2) For a polymer chain with a ground state staggered torsional conformation, the equilibrium angular displacement of each monomer is proportional to the sum of the exciton bond-orders on the neighboring bridging bonds. Consequently, there is significant angular displacement and local planarization causing exciton density localization. A classical (Landau) exciton-polaron is formed where the staggered angular displacement is proportional to the exciton density. (3) Generally, in the adiabatic limit, the decay of off-diagonal long-range order (i.e., exciton decoherence) mirrors the localization of the exciton density. However, quantum corrections to the rotational motion alter this adiabatic prediction because of correlated exciton-roton dynamics within the first rotational half-period. In particular, exciton-polaron quasiparticle formation causes more rapid and oscillatory exciton decoherence and slower exciton density localization.
关键词： π-conjugated polymers,exciton,decoherence,torsional relaxation,Landau exciton-polaron
更新于2025-09-04 15:30:14