Impact of anisotropy on polar optical vibration in a wurtzite cylindrical nanowire with ring geometry

The quasi-confined (QC) phonon modes, surface optical (SO) phonon modes and corresponding Fröhlich-like Hamiltonian in a wurtzite cylindrical nanowire with ring geometry are investigated in the framework of the dielectric continuum model and Loudon’s uniaxial crystal model. Numerical calculations are focused on the dispersion relations of the SO phonons and the electron–SO phonon coupling strength. Results show that there are only two branches of SO phonon modes. The dispersions of the two branches of SO phonon modes are obvious when the phonon wave-number k_z or the azimuthal quantum number m is small. Typical degenerating behavior of the SO modes is evidenced due to the anisotropic effect of wurtzite crystal. Moreover, when k_z or m are large enough, the frequencies of the two branches of SO modes converge to a definite limiting frequency in single planar heterostructure. The calculations of the electron–SO phonon coupling strength reveal that the high-frequency SO modes (SO₊) play a more important role in the coupling strength than the low-frequency ones (SO₋). Furthermore, the long-wavelength SO phonons with small m are the main factor contributing to the electron–phonon interaction.     

Tunneling-states model and the propagation characteristics of surface phonons in amorphous solids at low temperatures

The propagation characteristics of the surface phonon in an amorphous film are theoretically investigated at low temperatures based on the tunneling-states model. It is shown that the attenuation rate of the surface phonon is proportional to ω tanh ?ω/2k_BT and the relative velocity variation to ln (T/T₀) for the thickness of the amorphous film comparable to or larger than the surface phonon wavelength. Below 3K, our result can well account for recent measurements of the relative velocity variation by Hartemann et al.     

Real structure influence on the electron–phonon coupling properties of niobium

We performed density functional theory calculations using niobium (Nb) as a model system of a conventional superconductor, to correlate the distortion of twin defects with the electron–phonon coupling properties. Calculations using different settings of the Nb elementary cell (relaxed, distorted, super cell with zig‐zag twin defect) showed that only by including real structure elements into the setting, the Eliashberg spectral function representing the electron–phonon coupling properties was derived convincingly. Based on these density functional theory calculations of the electron–phonon cou‐ pling properties of Nb, we suggest a model for a combined superconducting/charge density wave ground state which uses a lattice distortion induced into the crystal by two‐dimensional defects as modulated background potential of the charge density wave phase. The coexistence of both phases is hereby necessary for a fine‐tuning of the Fermi surface within the small local domain of the defect to match the wavelength of the lattice distortion and the Fermi wavelength by pairing fermions to bosons. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Quenching of stimulated phonon emission in AlxGa1−xAs-GaAs quantum-well heterostructures

Data are presented on MO-CVD Al_xGa_1?xAs-GaAs multiple quantum-well heterostructures (QWH's) consisting of a large GaAs well (500 Å) coupled to one or two arrays of smaller wells (50 Å) that act, when photopumped, as phonon sources and resonators. These data show that the induced phonon-sideband laser operation of the larger well is quenched when the phonon-generating array, but not the larger well, is destroyed by thermal annealing. An estimate of the electron-phonon coupling coefficient for indirect optical transitions is presented, indicating enhanced coupling with increased phonon density and establishing a basis for stimulated phonon emission in QWH's.     

Ternary mixed crystal effects on interface optical phonon and electron-phonon coupling in zinc-blende GaN/AlxGa1−xN spherical quantum dots

The theoretical investigations of the interface optical phonons, electron–phonon couplings and its ternary mixed effects in zinc-blende spherical quantum dots are obtained by using the dielectric continuum model and modified random-element isodisplacement model. The features of dispersion curves, electron–phonon coupling strengths, and its ternary mixed effects for interface optical phonons in a single zinc-blende GaN/Al_xGa_1−xN spherical quantum dot are calculated and discussed in detail. The numerical results show that there are three branches of interface optical phonons. One branch exists in low frequency region; another two branches exist in high frequency region. The interface optical phonons with small quantum number l have more important contributions to the electron–phonon interactions. It is also found that ternary mixed effects have important influences on the interface optical phonon properties in a single zinc-blende GaN/Al_xGa_1−xN quantum dot. With the increase of Al component, the interface optical phonon frequencies appear linear changes, and the electron–phonon coupling strengths appear non-linear changes in high frequency region. But in low frequency region, the frequencies appear non-linear changes, and the electron–phonon coupling strengths appear linear changes.     

Electron-phonon coupling in intrinsic trans-polyacetylene

We consider a valence force field model for the phonon spectrum of (CH)_x and find that phonon coupling to extended π electron states must be included to describe the observed Raman active modes of the polymer. The calculated phonon spectra are shown to possess the zone center dispersion anomalies characteristic of a condensed Peierls ground state.     

Sound velocity in La0.5Ca0.5MnO3

In this Letter the microscopic theory of the relative change in velocity of sound with temperature of La_0.5Ca_0.5MnO₃ is reported. The phonon Green function is calculated using the Green function technique of Zubarev in the limit of zero wave vector and low temperature. The lattice model electronic Hamiltonian in the presence of the phonon interaction with hybridization between the conduction electrons and the l-electrons is used. The relative change in velocity of sound at various temperatures is studied for different model parameters namely the position of the l-level, the effective phonon coupling strength and hybridization strength. The phonon anomalies observed experimentally at different temperatures are explained theoretically. An abrupt change in velocity at Neel temperature (TN) is observed clearly. It is observed that different parameters influence the velocity of sound.     

Electron-phonon coupling and longitudinal sound velocity of La0.5Ca0.5MnO3

In this paper, the microscopic theory of the relative change in velocity of sound with temperature of La_0.5Ca_0.5MnO₃ is reported. The phonon Green function is calculated using the Green function technique of Zubarev in the limit of zero wave vector and low temperature. The lattice model electronic Hamiltonian in the presence of the phonon interaction with hybridization between the conduction electrons and the l-electrons is used. The relative change in velocity of sound at various temperatures is studied for different model parameters, namely the position of the l-level, the effective phonon coupling strength and hybridization strength. The phonon anomalies observed experimentally at different temperatures are explained theoretically. An abrupt change in velocity at Neel temperature (T_N) is observed clearly. It is observed that different parameters influence the velocity of sound.     

Microscopic theory of longitudinal sound velocity in CDW and SDW ordered cuprate systems

We address here the self-consistent calculation of the spin density wave and the charge density wave gap parameters for high-T_c cuprates on the basis of the Hubbard model. In order to describe the experimental observations for the velocity of sound, we consider the phonon coupling to the conduction band in the harmonic approximation and then the expression for the temperature dependent velocity of sound is calculated from the real part of the phonon Green’s function. The effects of the electron–phonon coupling, the frequency of the sound wave, the hole doping concentration, the CDW coupling and the SDW coupling parameters on the sound velocity are investigated in the pure CDW phase as well as in the co-existence phase of the CDW and SDW states. The results are discussed to explain the experimental observations.     

Ultrafast optical probe of coherent acoustic phonons in Co_2MnAl Heusler film

In this work, pronounced oscillations in the time-resolved reflectivity of Heusler alloy Co_2MnAl films which are epitaxially grown on Ga As substrates are observed and investigated as a function of film thickness, probe wavelength,external magnetic field and temperature. Our results suggest that the oscillation response at 24.5 GHz results from the coherent phonon generation in Co_2MnAl film and can be explained by a propagating strain pulse model. From the probe wavelength dependent oscillation frequency, a sound velocity of(3.85±0.1)×10~3m/s at 800 nm for the epitaxial Co_2MnAl film is determined at room temperature. The detected coherent acoustic phonon generation in Co_2MnAl reported in this work provides a valuable reference for exploring the high-speed magnetization manipulation via magnetoelastic coupling for future spintronic devices based on Heusler alloy films.     

Perturbative expansion using a variational phonon basis for the Holstein model

A simple variational displacement phonon basis, obtained through the modified Lang-Firsov (MLF) transformation, is proposed to study the Holstein model. This phonon basis contains only one variational parameter, but capable of describing lattice distortions at distant sites from the charge carrier. A perturbation method based on this MLF basis is employed to calculate the single-electron ground-state energy and the dispersion of the polaronic band. The ground-state (k=0) energy obtained up to the second-order perturbation within this approach agrees well with the available numerical results for the entire range of coupling strength.     

n-Si/SiGe quantum cascade structures for THz emission

In this work we report on modeling the electron transport in n-Si/SiGe structures. The electronic structure is calculated within the effective-mass complex-energy framework, separately for perpendicular (X_z) and in-plane (X_xy) valleys, the degeneracy of which is lifted by strain, and additionally by size quantization. The transport is described via scattering between quantized states, using the rate equations approach and tight-binding expansion, taking the coupling with two nearest-neighbour periods. The acoustic phonon, optical phonon, alloy and interface roughness scattering are taken in the model. The calculated U/I dependence and gain profiles are presented for a couple of QC structures.     

Controllable broadening of zero-phonon lines by means of the Doppler effect and prospects of using spectral hole burning in optical informatics

An attempt is made to extend the spectacular variant of optical informatics efficient at liquid helium temperature—holography based on zero-phonon lines (ZPLs) and spectral hole burning, including time-and-space-domain holography—to higher temperatures, up to room temperature. At room temperature, both optical and Mössbauer narrow ZPLs exist; however, they do not have the inhomogeneous broadening that transforms a ZPL into a broad band, which is necessary for informatics based on light pulses. The idea of producing a band with an appropriate width from narrow ZPLs by using the Doppler effect is advanced. A variant of experimental realization of this idea by means of a scheme with a rotating disk covered by a layer of a material sensitive to spectral hole burning is considered. Numerical estimates were performed for narrow optical ZPLs and for the yet experimentally unconfirmed Mössbauer ZPL in the visible spectral range (dark blue nuclear light) that corresponds to a transition between the two low-lying levels of the ²²⁹Th isomer. For the narrowest optical ZPLs known at present, with a width of about 100 Hz, the estimates give favorable results, in particular, for prospects of realizing a photoelectrically accumulated stimulated photon echo.     

Performance analysis of wavelength conversion using a light-injected laser diode based on improved rate equations

The extinction and signal to noise ratios, the two main figures-of-merit for a wavelength converted signal are analyzed on the basis of the improved rate equations. The model accurately considers the mutual coupling parameter β_m which indicates the efficiency of the wavelength conversion. A simple relationship among extinction ratio, signal to noise ratio and the mutual coupling parameter β_m is given. With the simulation results, we find that the high extinction and signal to noise ratios depends on higher pump (i.e. original) power, optimum probe (i.e. converted) power and less wavelength spacing between them, which is in accordance with the analysis of mutual coupling parameter β_m.     

Isotopic shift in angle-resolved photoemission spectra of Bi2Sr2CaCu2O8 due to quadratic electron-phonon coupling

In connection with the experiment on oxygen isotope effect of Bi₂Sr₂CaCu₂O₈ with the angle-resolved photoemission spectroscopy (ARPES), we theoretically study the isotope-induced band shift in ARPES by the Hartree-Fork and quantum Monte Carlo methods. We find that this band shift can be clarified based on a quadratically coupled electron-phonon (e-ph) model. The large ratio of band shift versus phonon energy change is connected with the softening effect of phonon, and the positive-negative sign change is due to the momentum dependence of the e-ph coupling.     

Lattice dynamics of MgSiO3 perovskite

A lattice dynamical study of the geophysically important mineral MgSiO₃ in its orthorhombic perovskite phase, with space group Pnma (D _2h ¹⁶ ) has been carried out using a rigid ion model, with the potential consisting of Coulombic and short-ranged interactions. With the help of program DISPR, the ionic charges and radii were optimized using the equilibrium conditions. The resulting potential model is employed to predict the elastic constants and the phonon dispersion relations. The computed long wavelength optic modes are in good agreement with the corresponding experimental Raman and infrared active bands. The phonon density of states has been obtained and is used to evaluate the specific heat, the mean square displacements and thermal parameters of atoms.     

On the hydrodynamic theory of central peak in displacive structural phase transitions

A model involving nonlinear coupling between the overdamped phonon mode and temperature fluctuations is studied using the dynamic renormalization group method. It is shown that the behavior of the central peak in the dynamic form factor depends on the specific heat exponent α. For α < 0 and as T → T_c the central peak is found to merge with the over-damped phonon mode and the coupling goes to zero at T_c as (T ? T_c)^?α. An argument on the intensity of the central peak in the critical region in presented and it is concluded that the hydrodynamic coupling may not be the dominant mechanism of the central peak in SrTiO₃.     

A description of decoupled bands using the angular momentum projection method applied to the coherent phonon state

The decoupled bands of the odd-A La-isotopes are described by the angular momentum projection method. The coherent phonon state is assumed for the intrinsic wave function of the core. The present model covers the particle-vibrator and the particle-rotor coupling model. The results are in good agreement with the experimental energy spectra.     

Tc map and superconductivity of simple metals at high pressure

We calculate T_c map in region of weak electron–phonon coupling based on simple phonon spectrum. By using linear-response method and density functional theory, we calculate phonon spectra and Eliashberg functions of simple metals under pressure. Based on the evolutions of superconducting parameters of simple metals on the T_c map with increasing pressure, we find that there are two different responses to pressure for simple metals: (1) enhancing electron–phonon interaction λ such as for La and Li, (2) increasing phonon frequency such as for Pb, Pt. The λ threshold effect is found, which origins from the competition between electron–phonon interaction and electron–electron Coulomb interaction and is the reason why T_c of most superconductors of simple metals are higher than 0.1 K.     

Coupling of electrons and phonons in a doped antiferromagnet

It is well-known that low-energy electronic excitations in high-T _c superconductors have energies of the order of the exchange couplingJ, i.e. of the same order as the phonon energies. Therefore, low-energy electronic excitations and phonons should strongly influence each other. To investigate this problem we consider a coupled electron-phonon system. For the electronic degrees of freedom we start from the three band Hubbard or Emery model. In analogy to the transformation of the three band Hubbard model to thet?J model, studied by Zhang and Rice, we derive an effective electron-phonon interaction. Its electronic degrees of freedom are those of thet?J model which couple to the phonons of the original system. The coupling of electrons and phonons is discussed by means of the phonon Green function for a breathing-like mode.