Isotopic effect in the vibronic spectra of europium compounds

The effect of the kinematic factor on vibronic spectra of europium compounds and Eu³⁺-doped lanthanide compounds was examined experimentally. It was demonstrated that isotopic or quasi-isotopic substitution of the ions of the crystal lattice gives rise not only to the changes of the vibration frequencies but also to alteration of the value of electron-phonon interaction. The latter displays in changing the relative integral intensity of vibronic sidebands of electronic transitions of Eu³⁺ ion. Eu³⁺ vibronic spectra of a number of pairs of natural and isotopically or quasi-isotopically substituted compounds: nitrates, halides, formates, acetates, oxalates, β-diketonates, etc., were studied. In most cases the substitution of deuterium for hydrogen was applied. Decrease of the electron-phonon interaction with the increase of the isotopic mass depends on different structural characteristics. It was found that a factor of decreasing the relative intensity of the vibronic sideband of electronic transition of Eu³⁺ ion lies within the range ∼1.2 and ∼7 for pairs of compounds under investigation. The largest change of the intensity of vibronic sidebands was observed in a pair of formates Eu(HCOO)₃ and Eu(DCOO)₃ having the tridentate-bridging coordination of the formate anions and a three-dimensional frame structure. One should take into consideration both decreasing the vibration frequencies and diminishing the value of electron-phonon interaction at introduction of heavy isotope or quasi-isotope in the crystal lattice of lanthanide compounds to reduce the multiphonon quenching of luminescence.     

Potentials induced by the electron-optical-phonon interaction in a quantum well

The potential induced by the electron-optical-phonon interaction in a quantum well (QW) is investigated by means of the perturbation theory. We consider the interactions of an electron with both bulklike confined longitudinal optical (LO) phonons and four branches of interface optical (IO) phonons. The spatial distributionV _i(z) of the induced potential for QW structures with different heterolayer compositions and different well widths is calculated in detail. The numerical results show that the heterolayer composition of the QW plays an important role in determining the shape ofV _i(z) and that the existence of IO-phonons is important to the electronic states in QWs.     

Electronic band gaps of semiconductors as influenced by their isotopic composition

The present paper focuses on the renormalization effects of the band gaps in the electronic band structure of the elemental semiconductors traced to zero-point vibrations. Electron-phonon interaction and volume changes (in combination with anharmonicity) are the underlying microscopic mechanisms, both dependent on M^−1/2, M being the average isotopic mass. Thus isotopically controlled crystals offer an extraordinary opportunity to test the theoretical predictions with a variety of spectroscopic techniques. The paper discusses the theoretical predictions and their experimental verifications, exploiting derivative and photoluminescence spectroscopy. Illustrative examples on Si and Ge, drawn from the investigations of the authors, are presented.     

Temperature Dependence of Photoluminescence from Single and Ensemble InAs/GaAs Quantum Dots

We investigate the temperature dependence of photoluminescence from single and ensemble InAs/GaAs quantum dots systematically. As temperature increases, the exciton emission peak for single quantum dot shows broadening and redshift. For ensemble quantum dots, however, the exciton emission peak shows narrowing and fast redshift. We use a simple steady-state rate equation model to simulate the experimental data of photoluminescence spectra. It is confirmed that carrier-phonon scattering gives the broadening of the exciton emission peak in single quantum dots while the effects of carrier thermal escape and retrapping play an important role in the narrowing and fast redshift of the exciton emission peak in ensemble quantum dots.     

Squeezed magnetobipolarons in two-dimensional quantum dot

In this Letter, a different method was given for calculating the energies of the magnetobipolarons confined in a parabolic QD (quantum dot). We introduced single-mode squeezed states transformation, which are based on the Lee-Low-Pines and Huybrechts (LLP-H) canonical transformations. This method can provide results not only for the ground state energy but also for the excited states energies. Moreover, it can be applied to the entire range of the electron-phonon coupling strength. Comparing with the results of the LLP-H transformations, we have obtained more accurate results for the ground state energy, excited states energies and binding energy of the bipolarons. It shows that the magnetic field and the quantum dot can facilitate the formation of the bipolarons when η is smaller than some value.     

Optical phonon modes in a free-standing quantum wire with ring geometry

The confined longitudinal-optical (LO) phonon and surface-optical (SO) phonon modes of a free-standing quantum wire with ring geometry are discussed within the dielectric continuum (DC) approximation. Two branches of SO phonon modes have been investigated. The frequencies of the SO phonons are found to be dispersed and radius dependent for small size systems. When the wave vector qz→∞, the frequencies of each SO modes converge to the frequency values of the single planar heterostructure.     

Arnold resonances and quantum states

The dynamics of one electron interacting with a linear chain of heavy atoms bears a strong similarity with the propagation of a classical wave in a periodic non linear medium. Arnold resonances of the dynamical system play a central role. Some of the quantum states associated with these resonances are delocalized and contribute to phenomena such as Peierls dimerization while other ones are localized and are similar to the gap solitons of the classical wave theory, we call them Braggons. Complex Braggons containing several electrons inside the same localized profile are also described.     

Unique dielectric properties in polyaniline/poly(vinylidene fluoride) composites induced by temperature variation

To explore an effect of temperature on the dielectric properties in polyaniline/poly(vinylidene fluoride) (PANI/PVDF) composites, the dielectric properties of these composites with different volumetric fractions of PANI (?_PANI) were studied in a wide temperature range. An increase in the effective conductivity (σ_eff) and dielectric permittivity (?_eff) was observed with increasing temperature in all PANI/PVDF composites. Particularly, for the composite with ?_PANI = 0.01, less than the percolation threshold (?_C = 0.045), the increase in σ_eff and ?_eff was most significant. A tunneling effect could be responsible for the unique dielectric properties. The results provided us useful information related to the microstructure of composites, which was not reported previously. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Phonon-induced decoherence of the two-level quantum subsystem due to relaxation and dephasing processes

Phonon-related decoherence effects in a double-well two-level subsystem coupled to a solid are studied theoretically by the example of deformation phonons. Expressions for the reduced density matrix at T=0 are derived beyond the Markovian approximation by means of explicit solution of the non-stationary Schrödinger equation for the interacting electron-phonon system.     

Electron-LO-phonon interaction in wurtzite GaN quantum wells under a magnetic field

We calculate the electron-LO-phonon relaxation rates in wurtzite GaN quantum wells in the presence of a magnetic field parallel to the growth direction. Using the dielectric continuum model (DCM), we are able to include contributions from both the interface and the quasi-confined phonon modes. The relaxation rate expression takes the phonon dispersion into account, and is applicable to all phonon modes. We find that the relaxation rates show strong oscillations as a function of the applied magnetic field. In relatively wide (8 nm) quantum wells, the inclusion of interface phonon mode decreases this oscillation amplitude. But in thin wells (5 nm), the interface phonon mode is of the same importance as the quasi-confined mode, and it strongly modifies the oscillation behavior.     

Fuchs-Kliewer phonon spectrum of Co3O4(110) single crystal surfaces by high resolution electron energy loss spectroscopy

The Fuchs-Kliewer phonon spectrum of single crystal Co₃O₄(110) has been analyzed by high resolution electron energy loss spectroscopy (HREELS) and the four fundamental phonon losses have been identified at 26.8, 47.5, 71.1 and 84.7 meV (216, 383, 573 and 683 cm⁻¹). This is the first HREELS study reported for an intrinsic spinel single-crystal surface with primary focus on the Fuchs-Kliewer phonon structure. The Co₃O₄ crystal is first characterized by Auger electron spectroscopy (AES), X-ray photoelectron spectroscopy (XPS) and low-energy electron diffraction (LEED), which establish the composition, cleanliness, and order of the (110) surface. Electron scattering is then used to obtain a series of well-resolved Fuchs-Kliewer phonon spectra over 2.25-14.25 eV incident electron energy range. The variation in phonon intensity with primary beam energy is shown to agree with that predicted by dielectric theory.     

Polaronic effects in asymmetric quantum wire: An all-coupling variational approach

An all-coupling variational calculation based on Lee-Low-Pines-Huybrechts (LLPH) theory is performed to study the ground state and the first excited state in an asymmetric polar semiconductor quantum wire that is valid for the entire range of the electron-phonon coupling constant and arbitrary confinement length. It is shown that the polaronic effects are very important and size dependent, if the effective width of the wire is reduced below a certain length scale. It is also shown that asymmetry in a quantum wire can be used as an extra parameter to increase the stability of the polaron. Finally the theory is applied to a realistic CdS quantum wire.     

Neutron scattering study of the intermolecular vibrations in solid C60

We present a detailed account of an inelastic neutron scattering study of the intermolecular vibrations in solid C₆₀ above and below the structural phase transformation. Assignment of the observed phonon peaks to modes of translational and librational character is discussed on the basis of lattice dynamical calculations using phenomenological intermolecular potentials. A new bond charge model is presented which reproduces the observed phonon branches very well. However, the apparently small influence of the orientational disorder on the librational excitations remains to be understood.     

The selected thermodynamic properties of the strong-coupled superconductors in the van Hove scenario

In the present paper, the exact numerical solutions of the Eliashberg equations within the van Hove scenario are obtained. The order function, the wave function renormalization factor, the energy shift function and the chemical potential are calculated. It is shown that the van Hove singularity change considerably the relationship between the order function and the occupation number. In particular, the order function have strong maximum in hole-doped region. Additionally, the critical temperature is calculated. It is shown that the observed maximum for the order function in hole-doped region induces a very high value of the critical temperature despite the fact that superconductivity originates from phonon-induced pairing. Finally, the ratio of the zero temperature energy gap to the critical temperature is found.     

Carbon doping in MgB2: role of boron and carbon px(y) bands

We have studied the changes in the electronic structure and the superconducting transition temperature T_c of Mg(B_1−xC_x)₂ alloys as a function of x with 0≤x≤0.3. Our density-functional-based approach uses the coherent-potential approximation to describe the effects of disorder, the Gaspari-Gyorffy formalism to estimate the electron-phonon matrix elements and the Allen-Dynes equation to calculate T_c in these alloys. We find that the changes in the electronic structure of Mg(B_1−xC_x)₂ alloys, especially near the Fermi energy E_F, come mainly from the outward movement of E_F with increasing x, and the effects of disorder in the B plane are small. In particular, our results show a sharp decline in both B and C p_x(y) states for 0.2≤x≤0.3. Our calculated variation in T_c of Mg(B_1−xC_x)₂ alloys is in qualitative agreement with the experiments.     

Electrostatics of DNA-cationic lipid complexes: isoelectric instability

We propose a Poisson-Boltzmann electrostatic theory for DNA/cationic lipid complexes modeled as a stack of aligned DNA chains intercalated with lipid bilayers, a structure suggested by the recent X-ray synchrotron studies of Radler et al. Poisson-Boltzmann theory is shown to predict that the isoelectric point - where the DNA and cationic lipid charges are in balance - is unstable against absorption of extra DNA or lipid material. The instability is caused by the entropy gain obtained following the release of small ions inside the complex and is manifested by singular behavior of the rod-rod spacing near the isoelectric point. We apply the theory to a discussion of the results of Radler et al. Received: 21 July 1997 / Received in final form: 19 January 1998 /Accepted: 5 March 1998     

Electron correlations and quantum lattice vibrations in strongly coupled electron-phonon systems: A variational slave boson approach

We investigate the ground-state properties of the two-dimensional Hubbard model with an additional Holstein-type electron-phonon coupling on a square lattice. The effects of quantum lattice vibrations on the strongly correlated electronic system are treated by means of a variational squeezed-polaron wave function proposed by Zheng, where the possibility of static (frozen) phonon-staggered ordering is taken into account. Adapting the Kotliar-Ruckenstein slave boson approach to the effective electronic Hamiltonian, which is obtained in the vacuum state of the transformed phonon subsystem, our theory is evaluated within a two-sublattice saddle-point approximation at arbitrary band-filling over a wide range of electron-electron and electron-phonon interaction strengths. We determine the order parameters for long-range charge and/or spin ordered states from the self-consistency conditions for the auxilary boson fields, including an optimization procedure with respect to the variational displacement, polaron and squeezing parameters. In order to characterize the crossover from the adiabatic (=0) to the nonadiabatic (=) regime, the frequency dependencies of these quantities are studied in detail. In the predominant charge (spin) ordered phases the static Peierls dimerization (magnetic order) is strongly reduced with increasing . As the central result we present the slave boson ground-state phase diagram of the Holstein-Hubbard model for finite phonon frequencies.     

Dielectric behavior of TiC–PVDF nanocomposites

TiC/PVDF nanocomposite is prepared via simple blending and hot pressing route. Percolation theory was employed to explain the dielectric behavior of the TiC/PVDF composites. The dependence of the dielectric properties of the composite on both volume fraction of the filler and frequency is investigated. High dielectric constant (? = 540) and low loss (tan δ = 0.48) of the composites at 100 Hz have been observed near the percolation threshold (0.12). The composites show a weak frequency dependence towards the high frequency range (10–100 kHz), regardless of the TiC content. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Ground state description of bound polarons in parabolic quantum wires

The Feynman-Haken variational path integral theory is, for the first time, generalized to calculate the ground-state energy of an electron coupled simultaneously to a Coulomb potential and to a longitudinal-optical (LO) phonon field in parabolic quantum wires. It is shown that the polaronic correction to the ground-state energy is more sensitive to the electron-phonon coupling constant than the Coulomb binding parameter and monotonically stronger as the effective wire radius decreases. We apply our calculations to several semiconductor quantum wires and find that the polaronic correction can be considerably large. Received 16 November 1998     

Synthesis and electroluminescence properties of benzothiazole derivatives

Benzothiazole-based blue fluorescent materials N-(4-(benzo[d]thiazol-2-yl)phenyl)-N-phenylbenzenamine (BPPA) and N-(4-(benzo[d]thiazol-2-yl)phenyl)-N-phenylnaphthalen-1-amine (BPNA) were synthesized for use in organic light-emitting diodes (OLEDs). Electroluminescent device with a configuration of ITO/NPB/BPPA/BCP/Alq₃/LiF/Al showed a maximum brightness of 3760 cd/m² at 14.4 V with the CIE coordinates of (0.16, 0.16). A current efficiency of 3.01 cd/A and an external quantum efficiency of 2.37% at 20 mA/cm² were obtained from this device. Molecules derived from BPPA and BPNA with incorporated dicyanomethylidene, which is a functional group for most red fluorescent molecules, were designed, synthesized and characterized to study the red fluorescence properties of the benzothiazole derivatives.