Confinement of polar optical phonons in quasi-one-dimensional Wurtzite GaN-based quantum well wires: propagating and half-space phonon modes

With the aid of the macroscopic dielectric continuum and Loudon’s uniaxial crystal models, the propagating (PR) and half-space (HS) optical phonon modes and corresponding Fröhlich-like electron-phonon interaction Hamiltonians in a quasi-one-dimensionality (Q1D) wurtzite quantum well wire (QWW) structure are derived and studied. Numerical calculations on a wurtzite GaN/A_l0.15Ga_0.85N QWW are performed, and discussion is focused mainly on the dependence of the frequency dispersions of PR and HS modes on the free wave-number k _z in the z-direction and on the azimuthal quantum number m. The calculated results show that, for given k _z and m, there usually exist infinite branches of PR and HS modes in the high-frequency range, and only finite branches of HS modes in the low-frequency range in wurtzite QWW systems. The reducing behaviors of the PR modes to HS modes, and of the HS mode to interface phonon mode have been observed clearly in Q1D wurtzite heterostructures. Moreover, the dispersive properties of the PR and HS modes in Q1D QWWs have been compared with those in Q2D quantum well structures. The underlying physical reasons for these features have also been analyzed in depth.     

Interface and propagating optical phonon mixing modes in a wurtzite GaN-based quantum dot

The polar optical phonon vibrating modes of a quasi-zero-dimensional (Q0D) wurtzite cylindrical quantum dot (QD) are solved exactly based on the dielectric continuum model and Loudon’s uniaxial crystal model. The result shows that there exist four types of polar mixing optical phonon modes in the Q0D wurtzite cylindrical QD systems, which is obviously different from the situation in blende cylindrical QDs. The dispersive equations for the interface-optical-propagating (IO-PR) mixing modes are deduced and discussed. It is found that the dispersive frequency of IO-PR mixing modes in wurtzite QD just take a series of discrete values due to the three-dimensional confined properties. Moreover, once the radius or the height of the QD approach infinity, the dispersive equations of the IO-PR mixing modes in the wurtzite Q0D cylindrical QD can naturally reduce to those of the IO and PR modes in Q2D QWs or Q1D QWWs systems. This has been analyzed reasonably from both physical and mathematical viewpoints. The analytical expressions obtained in the paper are useful for further investigating phonon influence on physical properties of the wurtzite Q0D QD systems.     

Polar propagating optical phonon states and their dispersive spectra in wurtzite nitride superlattices: Quantum size effect

The polar optical phonon states of propagating (PR) modes in wurtzite GaN/Al_xGa_1−xN superlattices (SLs) are investigated within the dielectric continuum model framework. It is proved that the PR phonon modes only appear in wurtzite GaN/Al_xGa_1−xN SL with a small x$x$ Al mole ratio concentration (such as x<0.34$x<0.34$). The analytical phonon states of PR modes and their dispersive equation in the wurtzite GaN/Al_xGa_1−xN SL structures are obtained. Numerical calculations on the dispersive spectra of PR modes and their electrostatic potential properties as well as the quantum size effect are performed for a wurtzite GaN/Al_0.15Ga_0.85N SL. Results reveal that dispersive curves of PR modes in SLs form frequency bands. As the well width of GaN well-layer increases, the frequency bands of PR modes become steeper and narrower. The discussion of electrostatic potentials shows that the wavelength of PR phonon modes with a phase qL=π$qL=\pi$ (0) is 2L$2L$ (L$L$). With the increase of the SL well width, the wave-node number of the PR phonon modes in the barrier regions increases. The present theoretical scheme and numerical results are quite useful for analyzing the dispersive spectra of PR phonon modes and their polaronic effect in wurtzite GaN/AlGaN SL structures.     

Polar optical phonon states and dispersive spectra of wurtzite ZnO nanocrystals embedded in zinc-blende MgO matrix

Based on the macroscopic dielectric continuum model and Loudon’s uniaxial crystal model, the polar optical phonon modes of a quasi-0-dimensional (Q0D) wurtzite spherical nanocrystal embedded in zinc-blende dielectric matrix are derived and studied. It is found that there are two types of polar phonon modes, i.e. interface optical (IO) phonon modes and the quasi-confined (QC) phonon modes coexisting in Q0D wurtzite ZnO nanocrystal embedded in zinc-blende MgO matrix. Via solving Laplace equations under spheroidal and spherical coordinates, the unified and analytical phonon states and dispersive equations of IO and QC modes are derived. Numerical calculations on a wurtzite/zinc-blende ZnO/MgO nanocrystal are performed. The frequency ranges of the IO and QC phonon modes of the ZnO/MgO nanocrystals are analyzed and discussed. It is found that the IO modes only exist in one frequency range, while QC modes may appear in three frequency ranges. The dispersive frequencies of IO and QC modes are the discrete functions of orbital quantum numbers l and azimuthal quantum numbers m. Moreover, a pair of given l and m corresponds to one IO mode, but to more than one branches of QC. The analytical phonon states and dispersive equations obtained here are quite useful for further investigating Raman spectra of phonons and other relative properties of wurtzite/zinc-blende Q0D nanocrystal structures.     

One phonon-assisted electron Raman scattering in a wurtzite cylindrical quantum well wire

We report the electron resonant Raman scattering (ERRS) process related to the longitudinal optical (LO), interface optical (IO) and quasi-confined (QC) phonons in a cylindrical GaN-AlN quantum well wire (QWW). We present the differential cross-section (DCS) and study the selection rules. Results reveal that the emitted photon frequency decreases with increasing the radius because of the size-selective Raman scattering effect and the built-in electric field. The contribution to the DCS mainly stems from the GaN-type LO (LO1), QC and IO phonons when the wire is thin, but the LO1 and QC phonons are dominant for the thick wire.     

Surface optical phonon—assisted electron Raman scattering in a semiconductor quantum disc

We have carried out a theoretical calculation of the differential cross section for the electron Raman scattering process associated with the surface optical phonon modes in a semiconductor quantum disc.electron states are considered to be confined within a quantum disc with infinite potential barriers.The optical phonon modes we have adopted are the slab phonon modes by taking into consideration the Frohlich interaction between an electron and a phonon.The selection rules for the Raman process are given.Numerical results and a discussion are also presented for various radii and thicknesses of the disc,and different incident radiation energies.     

纤锌矿InGaN staggered量子阱中的激子态和光学性质

本文将基于有效质量近似下的变分法,理论研究了纤锌矿InGaN/GaN staggered量子阱中的激子态和光学性质.数值结果显示了InGaN量子阱中的量子尺寸和staggered受限垒对束缚于量子阱中的激子态和光学性质有着明显的影响.当阱宽增加时,量子受限效应减弱,激子结合能降低,带间发光波长增加.另一方面,当量子阱中staggered受限势增加时,量子受限效应增强,激子结合能升高,带间发光波长降低.本文的理论结果证明了可以通过调节staggered垒高和量子尺寸来调控纤锌矿InGaN staggered量子阱中的激子态和光学性质.     

纤锌矿InGaN staggered量子阱中的激子态和光学性质

本文将基于有效质量近似下的变分法,理论研究了纤锌矿InGaN/GaN staggered 量子阱中的激子态和光学性质。数值结果显示了InGaN量子阱中的量子尺寸和staggered受限垒对束缚于量子阱中的激子态和光学性质有着明显地影响。当阱宽增加时,量子受限效应减弱,激子结合能降低, 带间发光波长增加。另一方面,当量子阱中staggered受限势增加时,量子受限效应增强,激子结合能升高,带间发光波长降低。本文的理论结果证明了可以通过调节staggered垒高和量子尺寸来调控纤锌矿InGaN staggered 量子阱中的激子态和光学性质。     

纤锌矿氮化物量子阱中光学声子模的三元混晶效应

本文先比较了几种常用方法(修正的无规元素等位移模型、虚晶近似和简化相干势近似等)对纤锌矿三元混晶体声子频率的拟合结果,再选用与实验数据接近的拟合方法,结合介电连续和单轴晶体模型导出含纤锌矿三元混晶In_xGa_1－xN和Al_xGa_1－xN单量子阱各类光学声子模的色散关系,进一步分析了声子模随组分的变化. 结果表明,修正的无规元素等位移模型对单模性纤锌矿     

Different effect of evanescent modes on acoustic phonon transport in different types of a three-dimensional quantum wire

By the use of the scattering matrix method, we investigate the effect of evanescent modes on acoustic phonon transport and thermal conductance in both convex and concave type three-dimensional quantum wire. Our results show that the evanescent modes can enhance the transmission coefficient and the thermal conductance in the concave type three-dimensional quantum wire. However, for the convex type three-dimensional quantum wire, the evanescent modes can play adverse effect on the phonon transport. When the length of scattering region is large enough, for all types of three-dimensional quantum wire, the influence of evanescent modes on phonon transport becomes very weak.     

Polar interface and surface optical vibration spectra in multi-layer wurtzite quantum wires： transfer matrix method

The polar interface optical （IO） and surface optical （SO） phonon modes and the corresponding Froehlich electron phonon-interaction Hamiltonian in a freestanding multi-layer wurtzite cylindrical quantum wire （QWR） are derived and studied by employing the transfer matrix method in the dielectric continuum approximation and Loudon＇s uniaxial crystal model. A numerical calculation of a freestanding wurtzite GaN/AlN QWR is performed. The results reveal that for a relatively large azimuthal quantum number m or wave-number kz in the free z-direction, there exist two branches of IO phonon modes localized at the interface, and only one branch of SO mode localized at the surface in the system. The degenerating behaviours of the IO and SO phonon modes in the wurtzite QWR have also been clearly observed for a small kz or m. The limiting frequency properties of the IO and SO modes for large kz and m have been explained reasonably from the mathematical and physical viewpoints. The calculations of electron-phonon coupling functions show that the high-frequency IO phonon branch and SO mode play a more important role in the electron phonon interaction.     

Exciton binding energy and excitonic absorption spectra in a parabolic quantum wire under transverse electric field

The effects of transverse electric field on the energy levels of electron and heavy hole, exciton binding energy and excitonic absorption spectra of GaAs parabolic quantum wire are theoretically investigated in detail. The results indicate that the electron and hole energy levels, exciton binding energy, excitonic absorption coefficient and absorption energy becomes smaller with the increase of electric field. That is more significant at the condition of weaker parabolic confinement potential. The phenomena can be explained by the separation of overlap integral of the electron and hole at the ground states.     

Effect of pressure on intersubband optical absorption coefficients and refractive index changes in a V-groove quantum wire

In this paper, the effect of hydrostatic pressure on the intersubband optical absorption and the refractive index changes in a GaAs/Ga_1−xAl_xAs ridge quantum wire are studied. We use analytical expressions for the linear and third-order nonlinear intersubband absorption coefficients and refractive index changes obtained by the compact-density matrix formalism. The linear, third-order nonlinear, and total intersubband absorption coefficients and refractive index changes are investigated at different pressures as a function of photon energy with known values of width wire (b$b$), the incident optical intensity (I$I$), and the angle θ$\theta$. According to the results obtained from the present work, we have found that the pressure plays an important role in the intersubband optical absorption coefficients and refractive index changes in a V-groove quantum wire.     

Effect of a magnetic impurity on the optical properties of a spherical ZnSe quantum dot

We consider the electron and hole states in a semiconductor ZnSe spherical quantum dot, in the center of which a magnetic impurity atom of manganese is located. In calculations the quantum dot is approximated by a spherical rectangular well with a finite depth. Within the framework of perturbation theory, the effect of exchange spin interaction of an electron and a hole with a magnetic impurity on the band structure of the system is considered. The optical spectrum of the system for different polarizations of the incident light is studied also.     

Impurity-related optical response in a 2D and 3D quantum dot with Gaussian confinement under intense laser field

ABSTRACT

Using the two-dimensional (2D) diagonalisation method, the impurity-related electronic states and optical response in a 2D quantum dot with Gaussian confinement potential under nonresonant intense laser field are investigated. The effects of a hydrogenic impurity on the energy spectrum and binding energy of the electron and also intersubband optical absorption are calculated. The obtained numerical results show that the degeneracies of the excited electron states are broken and the absorption spectrum exhibits a redshift with the values of the laser field. The findings indicate a new degree of freedom to tune the performance of novel optoelectronic devices, based on the quantum dots and to control their specific properties by means of intense laser field and hydrogenic donor impurity. Using the same Gaussian confinement model, the electronic properties of a confined electron in the region of a spherical quantum dot are studied under the combined effects of on-centre donor impurity and a linearly polarised intense laser radiation. The three-dimensional problem is used to theoretically model, with very good agreement, some experimental findings reported in the literature related to the photoluminescence peak energy transition.     

Raman and infrared spectroscopical investigation of the optical vibrational modes in GaSb/AlSb superlattices

The vibrational spectrum of ultra-thin layer GaSb/AlSb superlattices was investigated in detail by infrared (IR) and Raman spectroscopies. The effect of confinement of the transverse and longitudinal optical phonons in both types of the layers was studied. The dispersions of optical phonons of the GaSb and the AlSb obtained from the analysis of the Raman and IR spectra are in a good accordance with the theoretical data and results of neutron scattering experiments. First- and second-order Raman spectroscopy indicates the presence of intermixture of atoms at the interfaces in the GaSb/AlSb superlattices. Received: 11 May 1998 / Accepted: 21 July 1998     

First-principles study of electronic and optical properties in wurtzite Zn1-xCuxO

We perform a first-principles simulation to study the electronic and optical properties of wurtzite Zn1 xCuxO.The simulations are based upon the Perdew-Burke-Ernzerhof form of generalised gradient approximation within the density functional theory.Calculations are carried out in different concentrations.With increasing Cu concentration,the band gap of Zn1 xCuxO decreases due to the shift of valence band.The imaginary part of the dielectric function indicates that the optical transition between O 2p states in the highest valence band and Zn 4s states in the lowest conduction band shifts to the low energy range as the Cu concentration increases.Besides,it is shown that the insertion of Cu atom leads to redshift of the optical absorption edge.Meanwhile,the optical constants of pure ZnO and Zn0.75Cu0.25O,such as loss function,refractive index and reflectivity,are discussed.     

抛物量子线中弱耦合极化子的有效质量和光学声子平均数

讨论电子与体纵光学(LO)声子弱耦合时对抛物量子线中极化子性质的影响.采用Tokuda改进的线性组合算符法、Lagrange乘子和变分法,导出了抛物量子线中弱耦合极化子的有效质量和光学声子平均数随拉格朗日乘子变化的规律及极化子振动频率随量子线约束强度的变化规律.并以ZnS量子线为例进行了数值计算,结果表明:抛物量子线中弱耦合极化子的有效质量m^*和光学声子平均数N随着拉格朗日乘子u的增加而增大;该结论与体材料中结论基本一致,但量子线中的效应比体材料更明显,表明量子线对电子约束的增强,使极化子效应更明显.同时,极化子振动频率λ随约束强度ω₀的增强而增大.