Anomalous temperature dependence of phonon modes in Bi2Ti4O11 and modified Bi2Ti4O11

We have observed the anomalous temperature dependence of the phonon modes in the Raman spectra of Bi₂Ti₄O₁₁ and the modified Bi₂Ti₄O₁₁ with the dopant of PbO. The square of the lowest mode frequency in both substances decreases linearly with increasing temperature, while the damping constant increases reaching a peak value at the transition temperature. The mode frequency, however, does not tend to zero but stays finite and the damping constant decreases above the transition temperature. The mode is Raman-active both above and below the transition temperature.     

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.     

Graphene susceptibility in Holstein model

We study the effects of the electron-phonon interaction on the temperature dependence of the orbital magnetic susceptibility of monolayer graphene. We use the linear response theory and Green's function formalism within the Holstein Hamiltonian model. The results show that the effects of the electron-phonon interaction on the susceptibility of graphene sheet have different behaviors in two temperature regions. In the low temperature region, susceptibility increases when the electron-phonon coupling strength increases. On the other hand, the susceptibility reduces with increasing the electron-phonon coupling strength in the high temperature region.     

Thickness and stacking geometry effects on high frequency overtone and combination Raman modes of graphene

We investigate two high frequency Raman overtone and combination modes of graphene named 2D' and 2D + G bands, and located at ~3240 and ~ 4260 cm^–1, respectively. The graphene thickness and stacking geometry effects for these two modes are systematically studied. The features of the 2D' band, which arises from intravalley double resonance, are not sensitive to the variation of thickness with single Lorentzian peak and fixed linewidth. We explain it theoretically by calculating the phonon dispersion mode in k‐space and find that the flat band region of longitudinal optical phonon near Γ point is the mechanism leading to the 2D' band nonsplit. With the thickness increasing, the band position exhibits blueshift and the linewidth increases for the 2D + G band. With changing thickness and stacking geometry of graphene, the intensities of these two high‐frequency bands show obvious different evolution compared with that of G band. Copyright © 2012 John Wiley & Sons, Ltd.     

声子色散对量子点中弱耦合磁极化子性质的影响(英文)

利用线性组合算符和幺正变换的方法,研究声子色散对磁场中抛物量子点弱耦合磁极化子性质的影响.计及LO声子色散,在抛物近似下导出了基态能量与量子点有效受限长度、声子色散系数、磁场强度以及耦合强度之间的关系.我们可以得到在弱耦合情况下抛物量子点中磁极化子的基态能量E0随量子点有效受限长度l0、电子声子耦合常数α和声子色散系数γ的增大而减小,随磁场回旋频率ωc增大而增大.自陷能Eotr随声子色散系数γ增大而增大.     

声子色散对量子点中弱耦合磁极化子声子平均数的影响

利用线性组合算符和幺正变换相结合的方法,研究了声子色散对抛物量子点中弱耦合磁极化子电子周围光学声子平均数的影响．计及纵光学(LO)声子色散,在抛物近似下导出了基态能量与量子点有效受限长度、声子色散系数、回旋共振频率以及电子-声子耦合常数之间的关系,电子周围光学声子平均数与声子色散系数以及电子-声子耦合常数的关系．数值计算结果表明在弱耦合情况下抛物量子点中磁极化子的基态能量随声子色散系数的增大而减小;电子周围光学声子平均数随声子色散系数增大而增大,随电子-声子耦合常数的增大而增大．     

声子色散对量子点中弱耦合磁极化子声子平均数的影响

利用线性组合算符和幺正变换相结合的方法,研究了声子色散对抛物量子点中弱耦合磁极化子电子周围光学声子平均数的影响。计及纵光学（ LO）声子色散,在抛物近似下导出了基态能量与量子点有效受限长度、声子色散系数、回旋共振频率以及电子－声子耦合常数之间的关系,电子周围光学声子平均数与声子色散系数以及电子－声子耦合常数的关系。数值计算结果表明在弱耦合情况下抛物量子点中磁极化子的基态能量随声子色散系数的增大而减小;电子周围光学声子平均数随声子色散系数增大而增大,随电子－声子耦合常数的增大而增大。     

Theoretical study of phonon spectra in ferromagnetic nanoparticles

Based on the spin-phonon model we analyze the influence of surface and size effects on the phonon properties of ferromagnetic nanoparticles. A Green's function technique in real space enables us to calculate the renormalized phonon energy and its damping depending on the temperature and the anharmonic spin-phonon interaction constants. With decreasing particle size the phonon energy can decrease or increase for different surface spin-phonon interaction constants, whereas the damping increases always. The influence of an external magnetic field is discussed, too. The theoretical results are in reasonable accordance to experimental data.     

量子阱中极化子的声子平均数

采用有效质量近似下的变分法,考虑到电子同时与表面光学声子和体纵光学声子相互作用,研究了无限深量子阱中极化子的表面光学声子平均数,体纵光学声子平均数和光学声子平均数。讨论了电子与体纵光学声子耦合强度α,阱宽L和势垒材料Al_xGa_1-xAs中Al的含量x对上述光学声子平均数的影响。以GaAs/Al_xGa_1-xAs量子阱为例进行了数值计算。结果表明:量子阱中表面光学声子平均数随耦合强度α,阱宽L和Al含量x增大而增大。量子阱中体纵光学声子平均数随耦合强度α,阱宽L的增大而增大。光学声子平均数随耦合强度α,阱宽L和Al含量x的增大而增大。     

共振拉曼效应和电子-声子耦合对线性多烯分子共振拉曼光谱的影响

线性多烯分子具有高强度且信息丰富的共振拉曼光谱,在生物学、光电材料和医学等方面都有一定应用.而含有共轭双键的短链β胡萝卜素分子是多烯分子中极具有代表性的分子.在激发光作用下π电子与CC键振动相互作用影响着吸收光谱和拉曼光谱,而共振拉曼效应和电子-声子耦合影响着共振拉曼光谱的强度、频率和线型.测量了β胡罗卜素分子在二氯乙...     

N型4H-SiC低温拉曼光谱特性

利用拉曼散射技术对N型4H-SiC单晶材料进行了30～300 K温度范围的光谱测量。实验结果表明,随着温度的升高,N型4H-SiC单晶材料的拉曼峰峰位向低波数方向移动,峰宽逐渐增宽。分析认为,晶格振动随着温度的升高而随之加剧,其振动恢复力会逐渐减小,使振动频率降低;原子相对运动会随温度的升高而加剧,使得原子之间及晶胞之间的相互作用减弱,致使声学模和光学模皆出现红移现象。随着温度的升高,峰宽逐渐增宽。这是由于随着温度的升高声子数逐渐增加,增加的声子进一步增加了散射概率,从而降低了声子的平均寿命,而声子的平均寿命与峰宽成反比,因此随着温度的升高峰宽逐渐增宽。声子模强度随温度升高呈现不同规律,E₂(LA),E₂(TA),E₁(TA)和A₁(LA)声子模随着温度升高强度单调增加,而E₂(TO),E₁(TO)和A₁(LO)声子模强度出现了先增后减的明显变化,在138 K强度出现极大值。分析认为造成原因是由于当温度高于138 K时,高能量的声子分裂成多个具有更低能量的声子所致。     

Theory of phonon properties in doped and undoped CuO nanoparticles

We have studied the phonon properties of CuO nanoparticles and have shown the importance of the anharmonic spin–phonon interaction. The Raman peaks of CuO nanoparticles shift to lower frequency and become broader as the particle size decreases in comparison with those of bulk CuO crystals owing to size effects. By doping with different ions, in dependence of their radius compared to the host ionic radius the phonon energies ω could be reduced or enhanced. The phonon damping is always enhanced through the ion doping effects.     

Anomalies of the phonon properties in multiferroic BiFeO3 thin films near the magnetic phase transition temperature

Size, substrate, doping and magnetic field effects on the phonon properties in multiferroic BiFeO₃ thin films are studied based on a microscopic model. We obtain an anomaly near the magnetic phase transition temperature TN which can be attributed to the magnetoelectric nature of BiFeO₃ and strong anharmonic spin-phonon interaction. It is shown that due to crystal lattice distortion for dopants with ionic radius smaller than that of the host ions the phonon energy decreases (for example Tb or Ti), whereas for the opposite case (larger radius of the doping ions, for example Co or Ni) it increases. The phonon damping is always enhanced compared to the undoped thin film.     

Chirality-induced dynamic kohn anomalies in graphene

We develop a theory for the renormalization of the phonon energy dispersion in graphene due to the combined effects of both Coulomb and electron-phonon (e-ph) interactions. We obtain the renormalized phonon energy spectrum by an exact analytic derivation of the phonon self-energy, finding three distinct Kohn anomalies (KAs) at the phonon wave vector q=omega/v, 2k_{F}+/-omega/v for LO phonons and one at q=omega/v for TO phonons. The presence of these new KAs in graphene, in contrast to the usual KA q=2k_{F} in ordinary metals, originates from the dynamical screening of e-ph interaction (with a concomitant breakdown of the Born-Oppenheimer approximation) and the peculiar chirality of the graphene e-ph coupling.     

Interface Polaron Within Parallel Electric and Magnetic Fields

A combinative method of variational wavefunction and harmonic oscillator operator algebra is used to treat the interface polaron in a semi-infinite polar crystal within parallel electric and magnetic fields perpendicular to the interface. Both the bulk longitudinal optical phonon and the interface optical phonon together with the anisotropic mass of the electron are included. The energy level correction up to the second-order perturbation, cyclotron-resonance frequency and cyclotron mass are expressed as functions of the electric and magnetic fields and a parameter characterizing the mean distance of the polaron from the interface. This theory is used to calculate numerically the single heterostructure AlAs/GaAs, when the electron is at the X high-symmetry point of the conduction band of AlAs. The results show that the magnetic field greatly enhances the polaronic correction of the electron energy levels while the electric field only increases the correction of their surface optical phonon part but obviously decreases that of their bulk optical mode part and thus the total energy correction decreases as the electric field increases. The change of red shift due to the electron-phonon interaction with electric and magnetic fields is also obf ained.     

Lattice dynamics of FeSb2

The lattice dynamics of FeSb(2) is investigated by first-principles density functional theory calculations and Raman spectroscopy. All Raman- and infrared-active phonon modes are properly assigned. The calculated and measured phonon energies are in good agreement. We have observed strong mixing of the A(g) symmetry modes, with the intensity exchange in the temperature range 210 and 260 K. The A(g) mode repulsion increases by doping FeSb(2) with Co, with no signatures of the electron-phonon interaction for these modes.     

外电场作用下纤锌矿氮化物抛物量子阱中极化子能级

The energy levels of a polaron in a wurtzite nitride finite parabolic quantum well (PQW)are studied by a modified Lee-Low-Pines variational method. The ground state of the polaron, the transition energy from first exited state to the ground state and the 关键词： 氮化物抛物量子阱 电子-声子相互作用 极化子     

Phonon anharmonicities in graphite and graphene

We determine from first principles the finite-temperature properties-linewidths, line shifts, and lifetimes-of the key vibrational modes that dominate inelastic losses in graphitic materials. In graphite, the phonon linewidth of the Raman-active E(2g) mode is found to decrease with temperature; such anomalous behavior is driven entirely by electron-phonon interactions, and does not appear in the nearly degenerate infrared-active E(1u) mode. In graphene, the phonon anharmonic lifetimes and decay channels of the A(1)' mode at K dominate over E(2g) at Gamma and couple strongly with acoustic phonons, highlighting how ballistic transport in carbon-based interconnects requires careful engineering of phonon decays and thermalization.     

Bi2O3-Li2O玻璃的热致变色研究

发现氧化铋和氧化锂所形成的玻璃有着明显的热致变色现象.温度系数随氧化铋含量的增加而上升,反映了热致变色现象主要来源于氧化铋.这种热致变色现象与半导体同样,来源于玻璃中的电子声子相互作用而产生的随温度变化的光学能隙.氧化铋重金属氧化物玻璃中高电子密度和低声子能量的化学键是产生强电子声子相互作用的主要原因 关键词： 玻璃 热致变色 电子-声子相互作用     

Electron-phonon interaction at the Si(111)-7 x 7 surface

It is shown that electron-phonon interaction provides a natural explanation for the unusual band dispersion of the metallic surface states at the Si(111)-(7 x 7) surface. Angle-resolved photoemission reveals a discontinuity of the adatom band at a binding energy close to the dominant surface phonon mode at h(omega0) = 70 meV. This mode has been assigned to adatom vibrations by molecular dynamics calculations. A calculation of the spectral function for electron-phonon interaction with this well-defined Einstein mode matches the data. Two independent determinations of the electron-phonon coupling parameter from the band dispersion and from the temperature-dependent phonon broadening yield similar values of lambda = 1.09 and lambda = 1.06.