Pressure induced effects on the Fermi surface of superconducting 2H-NbSe2

The pressure dependence of the critical temperature T(c) and upper critical field H(c2)(T) has been measured up to 19 GPa in the layered superconducting material 2H-NbSe2. T(c)(P) has a maximum at 10.5 GPa, well above the pressure for the suppression of the charge density wave (CDW) order. Using an effective two-band model to fit H(c2)(T), we obtain the pressure dependence of the anisotropy in the electron-phonon coupling and Fermi velocities, which reveals the peculiar interplay between CDW order, Fermi surface complexity, and superconductivity in this system.     

Quasiparticle spectra, charge-density waves, superconductivity, and electron-phonon coupling in 2H-NbSe2

High-resolution photoemission has been used to study the electronic structure of the charge-density wave (CDW) and superconducting dichalcogenide, 2H-NbSe2. From the extracted self-energies, important components of the quasiparticle interactions have been identified. In contrast to previously studied TaSe2, the CDW transition does not affect the electronic properties significantly. The electron-phonon coupling is identified as a dominant contribution to the quasiparticle self-energy and is shown to be very anisotropic (k dependent) and much stronger than in TaSe2.     

Phonon linewidths in YNi<Subscript>2</Subscript>B<Subscript>2</Subscript>C

Phonons in a metal interact with conduction electrons which give rise to a finite linewidth. In the normal state, this leads to a Lorentzian shape of the phonon line. Density functional theory is able to predict the phonon linewidths as a function of wave vector for each branch of the phonon dispersion. An experimental verification of such predictions is feasible only for compounds with very strong electron-phonon coupling. YN₂B₂C was chosen as a test example because it is a conventional superconductor with a fairly high T _c (15.2 K). Inelastic neutron scattering experiments did largely confirm the theoretical predictions. Moreover, they revealed a strong temperature dependence of the linewidths of some phonons with particularly strong electron-phonon coupling which can as yet only qualitatively be accounted for by theory. For such phonons, marked changes of the phonon frequencies and linewidths were observed from room temperature down to 15 K. Further changes were observed on entering into the superconducting state. These changes can, however, not be described simply by a change of the phonon linewidth.      

On the Fröhlich charge density wave and Peierls transition

The exact solution of the system of nonlinear equations for Fröhlich charge density wave (CDW) in the continuum approximation is discussed, and the temperature behaviour of the CDW condensate is investigated in a framework of the mean-field approximation. It is shown that the CDW representation in the form of a conventional harmonic wave is only correct under certain conditions, namely, not too strong an electron-phonon interaction or not too low an electron density. According to the exact solution, the CDW is essentially a nonlinear wave represented by a harmonic series. This is confirmed by the experimental data on the CDW current oscillation spectra in which the overtones are present together with the principal harmonic (the so called “narrow band noise”). At strong enough electron-phonon coupling or at low enough electron density the CDW wave vector is temperature dependent, and the BCS relation between Peierls transition temperature and energetic gap in the electron spectra at zero temperature is violated.     

Phonon dispersion and lifetimes in MgB2

We measure phonon dispersion and linewidth in a single crystal of MgB2 along the Gamma-A, Gamma-M, and A-L directions using inelastic x-ray scattering. We use density functional theory to compute the effect of both electron-phonon coupling and anharmonicity on the linewidth, obtaining excellent agreement with experiment. Anomalous broadening of the E(2g) phonon mode is found all along Gamma-A. The dominant contribution to the linewidth is always the electron-phonon coupling.     

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．     

Understanding the complex phase diagram of uranium: the role of electron-phonon coupling

We report an experimental determination of the dispersion of the soft phonon mode along [100] in uranium as a function of pressure. The energies of these phonons increase rapidly, with conventional behavior found by 20 GPa, as predicted by recent theory. New calculations demonstrate the strong pressure (and momentum) dependence of the electron-phonon coupling, whereas the Fermi-surface nesting is surprisingly independent of pressure. This allows a full understanding of the complex phase diagram of uranium and the interplay between the charge-density wave and superconductivity.     

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.     

Penetration depth study of superconducting gap structure of 2H-NbSe2

We report measurements of the temperature dependence of both in-plane and out-of-plane penetration depths (lambda(a) and lambda(c), respectively) in 2H-NbSe2. Measurements were made with a radio-frequency tunnel diode oscillator circuit at temperatures down to 100 mK. Analysis of the anisotropic superfluid density shows that a reduced energy gap is located on one or more of the quasi-two-dimensional Nb Fermi surface sheets rather than on the Se sheet, in contrast with some previous reports. This result suggests that the gap structure is not simply related to the weak electron-phonon coupling on the Se sheet and is therefore important for microscopic models of anisotropic superconductivity in this compound.     

Electron-phonon coupling and the soft phonon mode in TiSe2

We report high-resolution inelastic x-ray measurements of the soft phonon mode in the charge-density-wave compound TiSe(2). We observe a complete softening of a transverse optic phonon at the L point, i.e., q=(0.5, 0, 0.5), at T≈T(CDW). Detailed ab initio calculations for the electronic and lattice dynamical properties of TiSe(2) are in quantitative agreement with experimental frequencies for the soft phonon mode. The observed broad range of renormalized phonon frequencies, (0.3, 0, 0.5)≤q≤(0.5, 0, 0.5), is directly related to a broad peak in the electronic susceptibility stabilizing the charge-density-wave ordered state. Our analysis demonstrates that a conventional electron-phonon coupling mechanism can explain a structural instability and the charge-density-wave order in TiSe(2) although other mechanisms might further boost the transition temperature.     

Effect of Lattice Quantum Fluctuation on CDW of MX Solids

The reduction of charge density wave (CDW) amplitude of MX solids caused by the lattice quantum fluctuation is investigated in a wide range of electron-phonon coupling by using the self-consistent renormalization method. In contrast to polyacetylene, where the bond order wave (BOW) exists well in arbitrary coupling, the effect of the quantum Auctuatipn on CDW of MX solids distinctly depends on the coupling. When the coupling is strol; the reduction of CDW is small; but, if the coupling is weak, CDW is seriously suppressed and even nearly destroyed. This contrast is related to the fact that for weak coupling, the renormalized frequencies of both the acoustic and optical branches are greatly reduced in polyacetylene, but these frequencies in MX solids are not well different from the bare value ω₀.     

Thermally activated charge carriers and mid-infrared optical excitations in quarter-filled CDW systems

The optical properties of the quarter-filled single-band CDW systems have been reexamined in the model with the electron-phonon coupling related to the variations of electron site energies. It appears that the indirect, electron-mediated coupling between phase phonons and external electromagnetic fields vanishes for symmetry reasons, at variance with the infrared selection rules used in the generally accepted microscopic theory. It is shown that the phase phonon modes and the electric fields couple directly, with the coupling constant proportional to the magnitude of the charge-density wave. The single-particle contributions to the optical conductivity tensor are determined for the ordered CDW state and the related weakly doped metallic state by means of the Bethe-Salpeter equations for elementary electron-hole excitations. It turns out that this gauge-invariant approach establishes a clear connection between the effective numbers of residual, thermally activated and bound charge carriers. Finally, the relation between these numbers and the activation energy of dc conductivity and the optical CDW gap scale is explained in the way consistent with the conductivity sum rules.     

Ab initio method for calculating electron-phonon scattering times in semiconductors: application to GaAs and GaP

We propose a fully ab initio approach to calculate electron-phonon scattering times for excited electrons interacting with short-wavelength (intervalley) phonons in semiconductors. Our approach is based on density functional perturbation theory and on the direct integration of electronic scattering probabilities over all possible final states with no ad hoc assumptions. We apply it to the deexcitation of hot electrons in GaAs, and calculate the lifetime of the direct exciton in GaP, both in excellent agreement with experiments. Matrix elements of the electron-phonon coupling, and their dependence on the wave vector of the final state and on the phonon modes, are shown to be crucial ingredients of the evaluation of electron-phonon scattering times.     

Temperature and layer number dependence of the G and 2D phonon energy and damping in graphene

We have studied the temperature and size dependence of the G and 2D phonon modes in graphene. It is shown that in a graphene monolayer the phonon energy decreases whereas the phonon damping increases with increasing temperature. The electron-phonon interaction leads to hardening whereas the fourth-order anharmonic phonon-phonon processes lead to softening of the phonon energy with increasing temperature. We have shown that the electron-phonon interaction plays an important role also by the dispersion dependence of the phonon G mode, by the observation of the Kohn anomaly. The G mode frequency decreases and damping increases, whereas the 2D phonon frequency and damping increase with increasing layer number. The temperature and size effects of the 2D mode are much stronger than those of the G mode.     

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.     

MX络合物中的晶格零点振动

利用自洽重整化方法,研究了不同电-声藕合作用下MX络合物中晶格零点振动对电荷密度波(CDW)的影响。对聚乙炔,无论电-声耦合作用强弱,键序波(BOW)总存在。而对MX络合物,计算表明,量子起伏对CDW的削弱作用依赖于电-声耦合作用的强弱。当电-声耦合作用强时,CDW的削弱小;相反,当电-声耦合作用弱时,CDW削弱大,甚至几乎被破坏。这一差异来源于以下事实,即在弱电-声耦合λ情况下,聚乙炔中光学模声子频率随λ^1/2减小,而在MX络合物中光学模声子频率与其裸值ω₀差 关键词：     

多层交替介质中电子-SO声子的耦合函数和色散关系

本文根据Wendler,潘金声提出的双层介电系统的电子-声子相互作用理论,推导了具有对称结构的多层交替介质的电子与SO声子的耦合函数和SO声子的色散关系,并以GaAs-Ga1-xAlxAs介质为例做了数值计算.     

Time evolution of electron temperature and hot LO-phonon distribution function in laser excited polar semiconductors

The numerical analysis is presented of the time evolution of the conduction electron temperature and of the hot LO-phonon population in polar semiconductors GaAs, CdTe and ZnS excited by a short laser pulse. The paper is based on the equations describing the evolution of the nonequilibrium electron-phonon system including the electron energy collision broadening and the electron screening of the electron-phonon interaction. The connection between the hot phonon population in the range of small values of the wave vector and the wave vector dependence of the screening function is pointed out.