磷化物三元混晶中电子-声子相互作用的维度和体积效应

考虑电子-声子耦合强度因维度而异,导出了描述三维、二维和一维混晶中电子-声子相互作用的哈密顿量。考虑构成三元混晶的两种二元晶体的晶格失配会使混晶体积随元素组分比改变,在推导三维、二维和一维三元混晶中极化子自陷能量和重整化有效质量时计入了离子相对位移与二元晶体原胞体积的关系。结果表明:磷化物三元混晶中极化子自陷能量和重整化有效质量随元素组分的变化关系呈明显的非线性特征,对晶格适配明显、电子-声子耦合较强的材料,体积效应不可忽略。维度越低,非线性特征和体积效应越明显。     

三元混晶四层系统的表面和界面声子极化激元

运用改进的无规元素等位移模型和玻恩-黄近似,结合电磁场的麦克斯韦方程和边界条件,研究了真空/极性二元晶体薄膜/极性三元混晶薄膜/极性二元晶体衬底四层系统的表面和界面声子极化激元.以AlxGa1-xAs/GaAs和ZnxCd1-xSe/ZnSe为例,获得了表面和界面声子极化激元模的色散关系以及表面模和界面模的频率随混晶组分和薄膜厚度的变化关系.结果表明,三元混晶四层异质结系统中存在七支表面和界面声子极化激元模,且这七支表面模和界面模的频率随混晶组分和薄膜厚度呈非线性变化,三元混晶的\"单模\"和\"双模\"性也在色散曲线中得到了很好的体现.     

Mnx Zny Be1-x-y Se半导体混晶中光学声子的研究

在随机元素等位移(MREI)模型的基础上,运用推广后的适用于任意多元混晶的理论,计算了MnxZnyBe1-x-ySe半导体混晶的光学声子性质随组分比的变化关系.比较了四元混晶的理论结果和实验数据,两者符合较好,同时对今后的实验给出了一定程度的指导.     

三元硅化物CaAISi的结构和超导电性

应用线性响应的线性糕模轨道方法计算AlB2型结构的新超导体CaAlSi的电子能带、声子谱及电子-声子耦合常数，并讨论了它们的超导电性．通过比较两种结构模型的计算结果可以看出：若CaAISi中Al，si原子沿c轴方向以-Al-Al-A1-,（或-Si-Si-Si-）排列，低频B1g模式的声子频率沿A-L方向出现虚频，使得这种结构处于不稳定状态，电子-声子耦合表现异常增大；若Al，si原子沿c轴方向以-Al-si-A1-排列，声子振动模式的增加消除了低频声子的异常软化,由此计算得到的声子对数平均频率增大为147K，电子-声子耦合常数A=0．80,用中等耦合强度的Bardeen-Cooper-Schrieffer理论可合理解释其超导电性。     

混晶GaAs1-xPx：N中Nx发光的声子伴线结构

本文采用荧光窄化技术,对低组分的GaAs1-xPx:N(x=0.76,0.65)混晶材料中Nx束缚激子的声子伴线进行了研究.在低温下,选择激发Nx带时,我们得到了与GaP:N低温发光谱中类似的声子伴线结构.根据实验结果,给出了混晶中各种声子的能量.另外,对组分为x=0.76的GaAs1-xPx:N混晶样品,我们还首次观察并分析了多声子重现光谱.     

纤锌矿MgxZn1-xO/Mg0.3Zn0.7O抛物量子阱中极化子能级

采用改进的Lee-Low-Pines(LLP)中间耦合方法研究纤锌矿Mg x Zn1-x O/Mg0.3Zn0.7O抛物量子阱材料中的极化子能级,给出极化子基态能量、跃迁能量(第一激发态到基态)和不同支长波光学声子对电子态能级的贡献随量子阱宽度d的变化规律。理论计算中考虑了纤锌矿Mg x Zn1-x O/Mg0.3Zn0.7O抛物量子阱材料中声子模的各向异性和介电常数、声子(类LO和类TO)频率等随空间坐标Z变化(SD)效应对极化子能量的影响。结果表明,Mg x Zn1-x O/Mg0.3Zn0.7O抛物量子阱中电子与长波光学声子相互作用对极化子能级的移动很大,使得极化子能量明显降低。阱宽较小时,半空间长波光学声子对极化子能量的贡献较大,而定域长波光学声子的贡献较小;阱宽较大时,情况则正好相反。在d的变化范围内,电子与长波光学声子相互作用对极化子能级的移动(约67~79 meV)比Al x Ga1-x As/Al0.3Ga0.7As抛物量子阱中的相应值(约1.8~3.2 meV)大得多。因此,讨论ZnO基量子阱中电子态问题时要考虑电子与长波光学声子的相互作用。     

三元硅化物CaAlSi的结构和超导电性

应用线性响应的线性糕模轨道方法计算AlB₂型结构的新超导体CaAlSi的电子能带、声子谱及电子-声子耦合常数,并讨论了它们的超导电性.通过比较两种结构模型的计算结果可以看出：若CaAlSi中Al,Si原子沿c轴方向以—Al—Al—Al—(或—Si—Si—Si—) 排列,低频B_1g模式的声子频率沿A-L方向出现虚频, 使得这种结构处于不稳定状态,电子-声子耦合表现异常增大;若Al,Si原子沿c轴     

抛物量子阱中束缚极化子的极化势和结合能

利用改进的Lee-Low-Pines(LLP)方法,用变分法计算了无限深抛物量子阱中同时考虑与体纵光学声子和界面纵光学声子相互作用的束缚极化子的极化势和结合能.数值计算得出:阱宽较大时极化势很小,阱宽较小时极化势较大,所以对于较窄的抛物阱必须考虑极化势.对于给定阱宽的抛物阱,随着远离阱中心极化势迅速减小,当到达阱的界面附近极化势又开始增大.阱宽较小时,束缚极化子的结合能随着阱宽L的增大而急剧减小;阱宽较大时,结合能减小的非常缓慢,最后接近体材料中的三维值.     

Polar Interface Optical Phonon Modes and Froehlich Electron－Phonon Interaction Hamiltonians in an Arbitrary Layer－Number Quantum Well System

By using determinant method as in our recent work, the IO phonon modes, the orthogonal relation for polarization vector, electron-IO phonon F~6hlich interaction Hamiltonian, the dispersion relation, and the electron-phonon coupling function in an arbitrary layer-number quantum well system have been derived and investigated within the framework of dielectric continuum approximation. Numerical calculation on seven-layer AlxGal-xAs/GaAs systems have been performed. Via the numerical results in this work and previous works, the general characters of the IO phonon modes in an n-layer coupling quantum well system were concluded and summarized. This work can be regarded as a generalization of previous works on IO phonon modes in some fLxed layer-number quantum well systems, and it provides a uniform method to investittate the effects of IO phonons on the multi-layer coupling quantum well systems.     

超导BCS理论的建立

介绍了巴丁、库珀和施里弗的生平,回顾了BCS理论的建立过程,综述了BCS理论建立的影响和意义,以及由此带给人们的有益启示.     

Optical vibration modes and electron－phonon interaction in ternary mixed crystals of polar semiconductors

Optical vibrations of the lattice and the electron－phonon interaction in polar ternary mixed crystals are studied in the framework of the continuum model of Born and Huang and the random-element-isodisplacement model. A normal-coordinate system to describe the optical vibration in ternary mixed crystals is correctly adopted to derive a new Fr?hlich-like Hamiltonian for the electron－phonon interaction including the unit-cell volume variation influence. The numerical results for the phonon modes, the electron－phonon coupling constants and the polaronic energies for several typical materials are obtained. It is verified that the nonlinearity of the electron－phonon coupling effects with the composition is essential and the unit-cell volume effects cannot be neglected for most ternary mixed crystals.     

Electron-TO-phonon interaction in polar crystals

In the present work, the interaction between electrons and long-wavelength transverse optical (TO) vibrations in a polar insulator is considered. The crystal model employed for the theoretical analysis includes classical potentials and electronic polarizabilities. A significant enhancement of the strength of the electron-TO-phonon interaction in ferroelectrics has been found. A microscopic justification of this effect is given. A bridge that relates the interaction of electrons with the polar long-wavelength TO modes of lattice vibrations to the long-range dipole-dipole interaction is established. As an application of our analysis, a novel method for quantitative predictions of the electron-TO-phonon interaction constants in polar crystals via the data of experimental studies is suggested.     

电子-声子相互作用对柱形量子线中光学克尔效应的影响

本文利用密度矩阵方法研究了柱形量子线中的光学克尔效应,重点讨论了电子-声子相互作用对其的影响,并以GaAs量子线为例进行了数值计算。结果显示,随着量子线半径R0的减小,光学克尔效应会逐渐增强;考虑了电子-声子相互作用时的光学克尔效应比未考虑电子-声子相互作用时的大20%多;量子线半径R0越小,峰越尖锐,峰值越强;当量子线半径R0大〖WTBZ〗于40nm时,峰会逐渐消失.     

Optical absorption coefficients in asymmetric quantum well

The optical absorption coefficients considering electron-phonon interaction in asymmetrical quantum wells are theoretically studied. The result shows that the optical absorption coefficients depend strongly on the parameters of quantum well. Interestingly, the theoretical values of the optical absorption coefficients obviously increase with considering the electron-phonon interaction.     

Origin of the acoustic phonon frequency shifts in semiconducting nanoparticles

The surface and size effects on the acoustic phonon properties of semiconducting nanoparticles, such as ZnO, are studied using the s-d model and a Green's function technique. We have shown that the electron-phonon and anharmonic phonon-phonon interactions play an important role in ZnO nanoparticles and must be taken into account in order to explain the experimental data. Due to surface and size effects on the electron-phonon constants, the acoustic phonon frequency and their damping increase with decreasing of particle size.     

Temperature induced band gap shrinkage in Cu2GeSe3: Role of electron-phonon interaction

The ternary semiconducting compound Cu₂GeSe₃ has been investigated for optical properties with photoacoustic spectroscopy. Optical absorption spectra of Cu₂GeSe₃ is obtained in the range of 0.76-0.81 eV photon-energy at temperatures between 80 and 300 K. The thermal variation of band gap energy has been examined from the optical absorption spectra at different temperatures. The temperature induced band gap shrinkage has been explained on the basis of electron-phonon interaction. Varshni's empirical relation in conjunction with Vina and Passler model is taken into consideration for data fitting. The Debye temperature was calculated approximately as 240 K. The acoustic phonons with a characteristic temperature as 160 K corresponding to effective mean frequency have been attributed to the thermal variation of the energy gap.     

Phonon-mediated electron pairing in graphene

The possibility of superconducting pairing of electrons in doped graphene due to in-plane and out-of-plane phonons is studied. Quadratic coupling of electrons with out-of-plane phonons is considered in details, taking into account both deformation potential and bond-stretch contributions. The order parameter of electron-electron pairing can have different structures due to four-component spinor character of electrons wave function. We consider s-wave pairing, diagonal on conduction and valence bands, but having arbitrary structure with respect to valley degree of freedom. The sign and magnitude of contribution of each phonon mode to effective electron-electron interaction turns out to depend on both the symmetry of phonon mode and the structure of the order parameter. Unconventional orbital-spin symmetry of the order parameter is found.     

A method to calculate the thermal conductivity of HMX under high pressure

A method based on Debye theory is developed to calculate the thermal conductivity of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). The phonon–phonon interaction model is built up for solid HMX. The phonon lifetime formula is derived by the phonon–phonon scattering mechanism, and the thermal conductivity tensor is derived by the phonon dispersion model. The thermal conductivities of α/β/δ-HMX are calculated in the temperature range 0–700?K and pressure range of 0–10?GPa. The phonon softening process of HMX is investigated. We have proven that the Debye frequency and thermal conductivity tend to 0 at the phonon softening point. A physical picture of the phonon–phonon interaction, phonon lifetime and phonon softening is built up.     

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     

Calculated effects of charge fluctuations on the phonon dispersion of YBa2Cu3O6 and YBa2Cu3O7. II. Results

Using the model presented in the preceding paper we investigate the effects of charge fluctuations (CF) on the phonon dispersion of YBa₂Cu₃O₆ (O₆) and YBa₂Cu₃O₇ (O₇). Starting from an ab-initio rigid-ion model as a reference system, CF are allowed for at the copper- and oxygen ions. The CF are treated as adiabatic electronic degrees of freedom. Within the rigid-ion model (RIM) the structural parameters are calculated by minimization of the energy. The results agree reasonably well with the experiment, indicating the suitability of the ionic model as a starting point and the importance of ionic forces for the properties of the high-temperature superconductors (HTSC) in general. Next, the phonon dispersion is calculated in the RIM as well as including CF additionally and the renormalization of the individual modes is discussed. By restricting the CF optionally to the planes, effects arising specifically from CF in the planes on the one hand and from CF in the chain as well as at the axial bridging oxygens (O4) on the other hand can be separated. We find the oxygen axial modes at the γ- and Z point (A_1g/A_2μ in O₆, A_g/B_1μ in O₇) particularly interesting. Most of these modes show considerable renormalizations. Moreover, the γ/Z-axial modes are characterized by the possibility of having CF of the same sign in the whole CuO planes what distinguishes them from the modes at other symmetry points. In particular, the Z-point axial modes are singular in having CF of alternating sign in consecutive structural units in c direction. Such a “c-direction-charge-transfer” has been shown previously to be an effective screening mechanism in La₂CuO₄. Indeed, we find a drastic renormalization of the plane-oxygen A_g mode at the Z point (A_g(O23;Z)) in O₇ (oxygen ions in neighboring planes vibrating in-phase), at least in the adiabatic approximation used here. In the insulating phase this mode exhibits, on the other hand, very large changes of the potential at the ion sites, whereas its renormalization is moderate only. The reason for this behaviour is that in the insulating phase in case of a two-dimensional electronic structure the charge transfer (screening) is restricted locally in the structural unit and long-range charge transfer is not possible as in the metal. However, a strong suppression of screening for this mode can also be expected for the metallic phase in O₇ in case non-adiabatic electron-phonon coupling would be important. The A_g (O23;Z)-mode thus seems to be by far the most interesting mode in O₇. These features are directly related to the layered structure of the HTSC compounds considered here. The O4-axial-breathing modes show significant renormalizations too, and are characterized by plane-chain charge transfer. Moreover, besides the O23- and O4-modes, the yttrium modes appear to be important too. In addition to the phonon-dispersion curves, we present values for the CF amplitudes and screened site-potential changes at the copper-and oxygen ions. Finally, we give transverse effective charges and dielectric constants for the insulating phase (O₆) as calculated within our formalism.