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.     

Effect of optical phonons scattering on electronic current in metallic carbon nanotubes

The effect of optical phonons scattering on electronic current has been studied in metallic carbon nanotubes. The current has been calculated self-consistently by total voltage equation and the heat transport equation. The total voltage equation consists of three terms, optical phonons collision term, acoustic phonon scattering term, and contact resistance one. Including LO, A₁, and E₁(2) phonons in collision term, we can reproduce the experimental I-V curves displaying negative differential conductance. Furthermore, one conclusion is made that the more optical phonons are scattered by electron, the lower current is in metallic carbon nanotubes. By comparing the current under different conditions, we can make another conclusion that there should be nonequilibrium optical phonons under high bias in spite of whether the metallic nanotube is suspended or not. This result agrees well with the others [M. Lazzeri, F. Mauri, Phys. Rev. B 73 (2006) 165419]. Based on these results, we do not only explain the experiment, but also propose to design a heat-controlling electronic transistor with metallic carbon nanotubes as its channel, in which the electronic current can be controlled by optical phonons.     

Dispersions of quasi-confined optical phonon modes and their electron–phonon interactions in an asymmetric wurtzite AlxGa1−xN / GaN / Aly Ga1−yN quantum well

Within the framework of the dielectric continuum model and Loudon’s uniaxial crystal model, the properties of the quasi-confined (QC) optical phonon dispersions and the electron–QC phonons coupling functions in an asymmetric wurtzite quantum well (QW) are deduced via the method of electrostatic potential expanding. The present theoretical scheme can be treated as a generalization of the QC optical phonons in an ordinary wurtzite double heterostructures QWs, and it can be reduced naturally to the situation of the symmetrical wurtzite QW once a suite of symmetrical parameters are adopted. Numerical computation on an asymmetric AlN/ GaN/ Al_0.15Ga_0.85N wurtzite QW are performed, and a detailed comparison with the case in symmetric wurtzite QW is carried out. The calculated results show that the structural asymmetry of wurtzite QW changes greatly the dispersion behaviors and the electrostatic potential distributions of the QC optical phonon modes.     

Coherent phonon excitation in bismuth

Ultrafast time-resolved reflectivity of a bismuth thin film evaporated on a silicon substrate is measured to investigate coherent phonons in bismuth. The reflectivity result is analyzed by a linear chirp approximation to obtain the time dependent frequencies of coherent phonons. Not only the optical modes are detected, which are generated by a combination of impulsive stimulated Raman scattering and displacive excitation of coherent phonon, acoustic phonon modes are also observed, which are emitted by the A_1g optical phonon.     

Proton-exchange influence on the polar phonons of LiTaO3 optical waveguides

Refractive index change and Raman scattering of Z-cut proton-exchanged LiTaO₃ optical waveguides with different composition have been studied. Probing of the waveguide depth was carried out by using micro-Raman spectroscopy in order to distinguish layers with different phase states. Varying the proton-exchange and post-exchange annealing regimes, two phases –α and β– in addition to the pure LiTaO₃, were clearly observed. The behaviour of the A ₁ vibrations of the TaO₆ groups was found to be very sensitive to the phase changes. Using data from waveguide Raman spectra, normal and oblique E(TO, LO) phonons were sorted and their properties were followed in the α and β phases. The OH-stretchings are considered to correspond to dipoles turned out of the oxygen planes. Received: 9 July 1999 / Accepted: 11 October 1999 / Published online: 24 March 2000     

The quasi-confined optical phonons in wurtzite GaN/AlN multiple quantum wells

Within the framework of the dielectric-continuum model and Loudon's uniaxial crystal model, the equation of motion for p-polarization field in arbitrary wurtzite multilayer heterostructures are solved for the quasi-confined phonon (QC) modes. The polarization eigenvector, the dispersion relation, and the electron-QC interaction Fröhlich-like Hamiltonian are derived by using the transfer-matrix method. The dispersion relations and the electron-QC coupling strength are investigated for a wurtzite GaN/AlN single QW. The results show that there are infinite branches of dispersion curve with definite symmetry with respect to the center of the QW structure. The confinement of the quasi-confined phonons in the QW leads to a quantization of q_z,j characterized by an integer m that defines the order of corresponding quasi-confined modes. The QC modes are more dispersive for decreasing m. The QC modes display an interface behavior in the barrier and a confined behavior in the well. The symmetric modes have more contribution to electron-QC interaction than the antisymmetric modes. The strains have more effect on symmetry modes, and can be ignored for symmetry modes.     

Soft modes and phonon interactions in studied by neutron scattering

The low frequency lattice dynamics and its relationship to the second order paraelectric-to-ferroelectric transition in Sn₂P₂S₆ is studied. The dispersion branches of the acoustic and lowest lying optical phonons in the a^*-c^* plane have been obtained in the ferroelectric phase, for x-polarized phonons. Close to the phase transition a considerable softening is found for the lowest optical mode (P_x), comparable to the behaviour observed in previous Raman investigations. As found previously in Sn₂P₂Se₆, a strong coupling between the TO(P_x) and TA(u_xz) phonons is observed, although, apparently, not strong enough to lead to an incommensurate phase. The soft TO(P_x) mode at the zone center is observed. The temperature dependence of its frequency and damping shows that the transition is not entirely displacive. At low temperatures an unusual apparent negative LO-TO splitting is observed which is shown to arise from the coupling of the x-polarized soft mode to the nearby z-polarized optical phonon. For comparison, the soft TO(P_x) dispersion in the a^*-b^* plane is measured in both the paraelectric and ferroelectric phases. Consistent frequency changes and LO-TO splitting are observed, revealing a significant interaction between the TA(u_yx) and LA(u_xx) acoustics branches and the TO and LO soft optic branches, respectively. In contrast, the nearby y-polarized optic branch shows almost no temperature dependence. Finally, the influence of piezoelectric effects on the limiting acoustic slopes in the ferroelectric phase is discussed. Received: 11 May 1998 / Revised and Accepted: 15 June 1998     

Polar oscillation and dispersion properties of quasi-confined optical phonon modes in a wurtzite GaN/AlxGa1−xN nanowire

Under the dielectric continuum model and Loudon’s uniaxial crystal model, the properties of the quasi-confined (QC) optical phonon dispersions and the electron-QC phonons coupling functions in a cylindrical wurtzite nanowire are deduced via the method of electrostatic potential expanding. Numerical computations on a GaN/Al_0.15Ga_0.85N wurtzite nanowire are performed. Results reveal that, for a definite axial wave number k_z and a certain azimuthal quantum number m, there are infinite branches of QC modes. The frequencies of these QC modes fall into two regions, i.e. a high frequency region and a low frequency region. The dispersion of the QC modes are quite apparant only when k_z and m are small. The lower-order QC modes in the higher frequency region play more important role in the electron-QC phonon interactions. Moreover, for the higher-order QC modes in the high frequency region, the electrostatic potentials “escaping” out of the well-layer material nearly could be ignored.     

Scattering of acoustic phonons by rare earth substitutional atoms in yttrium aluminum garnets

The diffusive maxima of phonon signals, and in particular their arrival timest _m are examined for a number of solid solutions of rare earth atoms in yttrium aluminum garnets. The phonon pulses are generated by metallic films of the characteristic lengthl _h heated by current pulses to the temperatureT _h slightly higher than the ambient temperatureT. The injected phonons travel in wafers of the thicknessL _z. They are scattered by substitutional atoms of rare earth occupying the yttrium dodecahedral sites, rare earth and yttrium atoms occupying the aluminum octahedral sites and by another lattice imperfections generated in the process of sample growing. The qualitative analysis based on our exact formula for the diffusion coefficientD allows us to extract the contribution of rare earth atoms substituting the Y atoms toD. Considering the dependence oft _m/L _z ² on the temperature and the ratiol _h/L_z we conclude thatD∼T _h ⁻⁴ and that the energy of phonons forming the diffusive maxima ranges from 3.2k _BT_H to 4.2k _BT_H, which is in reasonable agreement with the existing estimates.     

Electron mobility for a model Al<Subscript>x</Subscript> Ga<Subscript>1-x</Subscript> As/GaAs heterojunction under pressure

A variational method and a memory function approach are adopted to investigate the electron mobility parallel to the interface for a model Al_xGa_1-xAs/GaAs heterojunction and its pressure effect by considering optical phonon modes (including both of the bulk longitudinal optical (LO) in the channel side and interface optical (IO) phonons). The influence of a realistic interface heterojunction potential with a finite barrier and conduction band bending are taken into account. The properties of electron mobility versus Al concentration, electronic density and pressure are given and discussed, respectively. The results show that the electron mobility increases with Al concentration and electronic density, whereas decreases with pressure from 0 to 40 kbar obviously. The Al concentration dependent and the electron density dependent contributions to the electron mobility from the scattering of IO phonons under pressure becomes more obvious. The variation of electron mobility with the Al concentration and electron density are dominated by the properties of IO and LO phonons, respectively. The effect of IO phonon modes can not be neglected especially for higher pressure and electronic density.     

Built-in electric field effect on the linear and nonlinear intersubband optical absorptions in InGaN strained single quantum wells

Considering the strong built-in electric field (BEF) induced by the spontaneous and piezoelectric polarizations and the intrasubband relaxation, we investigate the linear and nonlinear intersubband optical absorptions in In_xGa_1-xN/Al_yGa_1-yN strained single quantum wells (QWs) by means of the density matrix formalism. Our numerical results show that the strong BEF is on the order of MV/cm, which can be modulated effectively by the In composition in the QW. This electric field greatly increases the electron energy difference between the ground and the first excited states. The electron wave functions are also significantly localized in the QW due to the BEF. The intersubband optical absorption peak sensitively depends on the compositions of In in the well layer and Al in the barrier layers. The intersubband absorption coefficient can be remarkably modified by the electron concentration and the incident optical intensity. The group-III nitride semiconductor QWs are suitable candidate for infrared photodetectors and near-infrared laser amplifiers.     

The intermolecular potential of NH+ 4-Ar I. Calculations for the internal rotor structure of the v 3 band

The intermolecular potential energy surface of the electronic ground state of the ammonium-argon ionic dimer, NH⁺ ₄-Ar, is calculated by ab initio methods using different levels of theory (MP2, MP4) and basis sets (aug-cc-pVXZ, X = D/T/Q). The deformation of the ammonium ion in the complex is shown to be small and its geometry is therefore fixed in these calculations to the tetrahedral structure optimized for the bare ion. The global minimum of the potential corresponds to a proton-bound structure with C_3v symmetry (R_e ≈ 3.4 Å, D_e ≈ 950 cm^?1) and the barrier to internal rotation between the four equivalent minima is around 200 cm^?1. The three-dimensional potential is expanded in tetrahedral harmonics whose radially dependent coefficients, V_i (R), are compared for the considered levels of theory. The rotation-intermolecular vibration Hamiltonian is solved using a two-dimensional fixed-R representation of the calculated potentials, V_i , ≡ V_i (R ^eff), where the effective intermolecular separation, RR^eff, is determined from the experimental rotational constants of the complex. The accuracy of these parametrized potential energy surfaces is judged by their ability to reproduce the hindered rotor subband structure in the experimental v ₃(t ₂) infrared band of the complex. The simulations using the potentials calculated at the MP2/aug-cc-pVTZ or higher levels of theory reproduce the coarse structure of the experimental spectrum well. Further improvement could be achieved by least-squares fitting the potential parameters to the observed subband positions. The fitted V ₃ and V ₄ parameters remain in close agreement with those determined from the ab initio calculations but the anisotropy of the potential is significantly different from that in a previous least-squares fit of V ₃ alone.     

Thermoactivated transport of molecules H<Subscript>2</Subscript> in narrow single-wall carbon nanotubes

By use both of the plane wave DFT and the empirical exp-6 Lennard-Jones potential methods we calculate the inner potential in narrow single-wall carbon nanotubes (SWCNT) (6, 0), (7, 0) and (3, 3) which affects the hydrogen molecules. The inner potential forms a goffered potential surface and can be approximated as V(z,r,φ)≈V₀sin (2πz/a)+V(r). We show that in these SWCNTs transport of molecules is given mainly by thermoactivated hoppings between minima of the periodic potential along the tube axis. The rate hoppings is substantially depends on temperature because of thermal fluctuations of tube wall.     

Damping of optical phonons in metals and strongly doped semiconductors

The electron-phonon-induced damping of optical phonons arising in metals and strongly doped semiconductors under laser irradiation is investigated. The damping of both short-wave KV_F > ω₀ and long-wave KV_F < ω₀ optical phonons is calculated; K is the wavevector, ω₀ is the frequency of the optical phonon; V_F is the Fermi velocity. The electron- phonon-induced damping is important if the frequency of the optical phonon is larger than two frequencies of acoustic phonons of all branches in the range of the whole Brillouin zone. The damping of a soft transverse optical phonon in narrow-gap ferroelectric-semiconductors is also defined by the electron-phonon interaction. In other cases the main relaxation process for optical phonons in metals is the decay into two acoustic phonons due to lattice anharmonicity.     

Phonon induced instabilities in intermediate valence compounds

The coupling of 4f electrons and longitudinal optical phonons and its implications on different types of structural phase transitions in intermediate valence compounds is discussed within the framework of the periodic Anderson model. Two types of interactions are considered. First, the usual density type of coupling of 4f electrons and phonons leads to a weakly temperature dependent renormalization of the positionE ₀ of the 4f level with respect to the 5d band. Secondly, phonon induced 4f–5d interband transitions lead to a renormalization of the hybridization energyV of 4f and conduction electrons. For appropriate parameter values the latter effect gives rise to discontinuous changes of the occupation of the 4f state.The tendency towards a ferromagnetic or antiferromagnetic instability is essentially suppressed by the presence of phonons.The dependence of the susceptibility on temperature and onE ₀ is calculated and a jump is found whenever a discontinuous change of the occupation of the 4f state occurs.Work performed within the research program of the Sonderforschungsbereich 125, Aachen-Jülich-Köln     

Polar optical phonon limited energy and momentum relaxation of hot electrons in a GaAs-quantum well (QW)

The average energy loss rate, the energy- as well as the momentum relaxation time of hot electrons confined in a GaAs-square quantum well are calculated as a function of the external controllable parametersn _s (electron density),T (lattice temperature) andT _e (electron temperature) for the interaction of the charge carriers with bulk- and surface polar optical phonons. Analytical expressions are derived in the limit of vanishing quantum well width at non-degeneracy and degeneracy of the electron system. Both energy-and momentum relaxation time are found to be complicated functions of the ratiosT _D /T _e andT _D /T withT _D being the Debye-temperature of the polar optical phonon involved in the scattering. In a thick (very thin) QW the energy loss rate to bulk PO-phonons is found to be larger (smaller) than the corresponding loss rate to surface modes. The energy- (momentum-) relaxation times are found to be constant (increasing) functions ofn _s at non-degeneracy (degeneracy) of the electron system. Dedicated to Professor Karlheinz Seeger on the occasion of his 60th birthday     

Vibration Spectra of Quasi-confined Optical Phonon Modes in an Asymmetric Wurtzite AlxGa1-xN/GaN/AlyGa1-yN Quantum Well

Based on the dielectric continuum model and Loudon's uniaxial crystal model,the properties of the quasiconfined (QC) optical phonon dispersions and the electron-QC phonons coupling functions in an asymmetric wurtzite quantum well (QW) are deduced via the method of electrostatic potential expanding.The present theoretical scheme can naturally reduce to the results in symmetric wurtzite QW once a set of symmetric structural parameters are chosen.Numerical calculations on an asymmetric A1N/GaN/Al0.15Ga0.85N wurtzite QW are performed.A detailed comparison with the symmetric wurtzite QW was also performed.The results show that the structural asymmetry of wurtzite QW changes greatly the dispersion frequencies and the electrostatic potential distributions of the QC optical phonon modes.     

Electron transport properties through double-barrier structures sandwiching a wide band-gap layer

We investigate the time-dependent transport properties of the quantum well (QW) with a wide band-gap material layer, where Al atoms doped in the middle GaAs QW. We find that the raised potential well bottom can affect the position of current hysteresis, current oscillation frequency and final steady-state mean current value. Moreover in this special structure, we find a negative differential conductance and only a current hysteresis region, the plateau structure of I–V curve found in the AlGaAs/GaAs/AlGaAs QW disappears.     

Optical characterization of InGaAsN/GaAsN/GaAs quantum wells with InGaP cladding layers

Optical properties of InGaAsN/GaAs and InGaAsN/GaAsN/GaAs quantum well structures with InGaP cladding layers were studied by photoreflectance at various temperatures. The excitonic interband transitions of the InGaAsN/GaAsN/GaAs QW systems were observed in the spectral range above hν=E_g(InGaAsN). The confinement potential of the system with strain compensating GaAsN barriers became one step broader, thus more quantum states and larger optical transition rate were observed. A matrix transfer algorithm was used to calculate the subband energies numerically. Band gap energies, effective masses were adopted from the band anti-crossing model with band-offset values adjusted to obtain the subband energies to best fit the observed optical transition features. A spectral feature below and near the GaAs band gap energy from GaAs barriers is enhanced by the GaAs/InGaP interface space charge accumulation induced internal field.     

Tunable detection of high-frequency phonons in LaF3

Tunable detection of high-frequency phonons in LaF₃ is reported. Phonons generated by a heat-pulse technique are detected by phonon-induced fluorescence from magnetically split energy levels of Er³⁺ impurity ions. Evidence for a strongly frequency-dependent lifetime of acoustic phonons at frequencies above 600 GHz is found. The lifetime is attributed to spontaneous anharmonic phonon decay.