We consider the reduced dynamics of a molecular chain weakly coupled to a phonon bath. With a small and constant inhomogeneity in the coupling, the excitation relaxation rates are obtained in closed form. They are dominated by transitions between exciton modes lying next to each other in the energy spectrum. The rates are quadratic in the number of sites in a long chain. Consequently, the evolution of site occupation numbers exhibits longer coherence lifetime for short chains only. When external source and sink are added, the rate equations of exciton occupation numbers are similar to those obtained earlier by Fröhlich to explain energy storage and energy transfer in biological systems. There is a clear separation of timescale into a faster one pertaining to internal influence of the chain and phonon bath, and a slower one determined by external influence, such as the pumping rate of the source, the absorption rate of the sink, and the rate of radiation loss. The energy transfer efficiency at steady state depends strongly on these external parameters and is robust against a change in the internal parameters, such as temperature and inhomogeneity. Excitations are predicted to concentrate to the lowest energy mode when the source power is sufficiently high. In the site basis, this implies that when sustained by a high power source, a sink positioned at the center of the chain is more efficient in trapping energy than a sink placed at its end. Analytic expressions of energy transfer efficiency are obtained in the high power and low-power source limit. Parameters of a photosynthetic system are used as examples to illustrate the results.
New crystal structures of fully hydrogenated borophene (borophane) have been predicted by first principles calculation. Comparing with the chair-like borophane (C-boropane) that has been reported in literature, we obtained four new borophane conformers with much lower total-energy. The most stable one, washboard-like borophane (W-borophane), has energy about 113.41 meV/atom lower than C-borophane. In order to explain the relative stability of different borophane conformers, the atom configuration, density of states, charge transfer, charge density distribution and defect formation energy of B-H dimer have been calculated. The results show that the charge transfer from B atoms to H atoms is crucial for the stability of borophane. In different borophane conformers, the bonding characteristics between B and H atoms are similar, but the B-B bonds in W-borophane are much stronger than that in C-borophane or other structures. In addition, we examined the dynamical stability of borophane conformers by phonon dispersions and found that the four new conformers are all dynamically stable. Finally the mechanical properties of borophane conformers along an arbitrary direction have been discussed. W-borophane possesses unique electronic structure (Dirac cone), good stability and superior mechanical properties. W-borophane has broad perspective for nano electronic device.
The existence of surface organic capping ligands on quantum dots (QDs) has limited the potential in QDs emission properties and energy band gap structure alteration as well as the carrier localization. This drawback can be addressed via depositing a thin layer of a semiconductor material on the surface of QDs. Herein, we report on the comparative study for photoluminescent (PL) properties of PbS and PbS/MnS QDs. The carrier localization effect due to the alteration of energy band gap structure and carrier recombination mechanism in the QDs were investigated via PL measurements in a temperature range of 10-300 K with the variation of the excitation power from 10 to 200 mW. For PbS QDs, the gradient of integrated PL intensity (IPL) as a function of excitation power density graph was less than unity. When the MnS shell layer was deposited onto the PbS core, the PL emission exhibited a blue shift, showing dominant carrier recombination. It was also found that the full width half-maximum showed a gradual broadening with the increasing temperature, affirming the electron-phonon interaction.
We study a series of N oscillators, each coupled to its nearest neighbors, and linearly to a phonon field through the oscillator's number operator. We show that the Hamiltonian of a pair of adjacent oscillators, or a dimer, within the series of oscillators can be transformed into a form in which they are collectively coupled to the phonon field as a composite unit. In the weak coupling and rotating-wave approximation, the system behaves effectively as the trilinear boson model in the one excitation subspace of the dimer subsystem. The reduced dynamics of the one excitation subspace of the dimer subsystem coupled weakly to a phonon bath is similar to that of a two-level system, with a metastable state against the vacuum. The decay constant of the subsystem is proportional to the dephasing rate of the individual oscillator in a phonon bath, attenuated by a factor that depends on site asymmetry, intersite coupling, and the resonance frequency between the transformed oscillator modes, or excitons. As a result of the collective effect, the excitation relaxation lifetime is prolonged over the dephasing lifetime of an individual oscillator coupled to the same bath.
The electron-phonon coupling constant of the copper oxide-based high temperature superconductors in the van Hove scenario was calculated using three known models and by employing various acoustic data. Three expressions for the transition temperature from the models were used to calculate the constants. All three models assumed a logarithmic singularity in the density of states near the Fermi surface. The calculated electron-phonon coupling constant ranged from 0.06 to 0.28. The constants increased with the transition temperature indicating a strong correlation between electron-phonon coupling and superconductivity in these materials. These values were smaller than the values estimated for the conventional three-dimensional BCS theory. The results were compared with previous reports on direct measurements of electron-phonon coupling constants in the copper oxide based superconductors.
Cupric oxide (CuO) thin films were prepared on a glass and silicon (Si) substrates by radio frequency magnetron sputtering system. The structural, optical and electrical properties of CuO films were characterized by X-ray diffraction (xRD), atomic force microscopy (AFM), Fourier transform infrared spectrometer, ultra-violet visible spectrophotometer, respectively, four point probe techniques and Keithley 4200 semiconductor characterization system. The xRD result showed that single phase CuO thin films with monoclinic structure were obtained. AFM showed well organized nano-pillar morphology with root mean square surface roughness for CuO thin films on glass and Si substrates were 3.64 and 1.91 nm, respectively. Infrared reflectance spectra shown a single reflection peak which is corresponding to CuO optical phonon mode and it confirmed that only existence of CuO composition on both substrates. The optical direct band gap energy of the CuO film grown on glass substrate, which is calculated from the optical transmission measurement was 1.37 eV. Finally, it was found that the deposited CuO films are resistive and the palladium formed ohmic contact for CuO on glass and schottky contact for CuO on Si.
The heterocyclic chalcone containing thiophene ring 1-(4-chlorophenyl)-3-(2-thienyl)prop-2-en-1-one, C13H9ClOS was synthesized and investigated using experimental techniques such as nuclear magnetic resonance (1H and 13C NMR), Fourier transform infrared spectroscopy (FTIR) at room temperature, differential scanning calorimeter (DSC) from room temperature to 500K and Raman scattering at the temperature range 10-413K in order to study its structure and vibrational properties as well as stability and possible phase transition. Density functional theory (DFT) calculations were performed to determine the vibrational spectrum viewing to improve the knowledge of the material properties. A reasonable agreement was observed between theoretical and experimental Raman spectrum taken at 10K since anharmonic effects of the molecular motion is reduced at low temperatures, leading to a more comprehensive assignment of the vibrational modes. Increasing the temperature up to 393K, was observed the typical phonon anharmonicity behavior associated to changes in the Raman line intensities, line-widths and red-shift, in special in the external mode region, whereas the internal modes region remains almost unchanged due its strong chemical bonds. Furthermore, C13H9ClOS goes to melting phase transition in the temperature range 393-403K and then sublimates in the temperature range 403-413K. This is denounced by the disappearance of the external modes and the absence of internal modes in the Raman spectra, in accordance with DSC curve. The enthalpy (ΔH) obtained from the integration of the endothermic peak in DSC curve centered at 397K is founded to be 121.5J/g.
In this work, nanocrystalline Ge1-xSnx alloy formation from a rapid thermal annealed Ge/Sn/Ge multilayer has been presented. The multilayer was magnetron sputtered onto the Silicon substrate. This was followed by annealing the layers by rapid thermal annealing, at temperatures of 300 °C, 350 °C, 400 °C, and 450 °C, for 10 s. Then, the effect of thermal annealing on the morphological, structural, and optical characteristics of the synthesized Ge1-xSnx alloys were investigated. The nanocrystalline Ge1-xSnx formation was revealed by high-resolution X-ray diffraction (HR-XRD) measurements, which showed the orientation of (111). Raman results showed that phonon intensities of the Ge-Ge vibrations were improved with an increase in the annealing temperature. The results evidently showed that raising the annealing temperature led to improvements in the crystalline quality of the layers. It was demonstrated that Ge-Sn solid-phase mixing had occurred at a low temperature of 400 °C, which led to the creation of a Ge1-xSnx alloy. In addition, spectral photo-responsivity of a fabricated Ge1-xSnx metal-semiconductor-metal (MSM) photodetector exhibited its extending wavelength into the near-infrared region (820 nm).