Transient localized electron dynamics simulation during femtosecond laser tunnel ionization of diamond

A real-time and real-space time-dependent density-functional theory (TDDFT) is applied to simulate the nonlinear electron–photon interactions during femtosecond laser processing of diamond when tunnel ionization dominates. The transient localized electron dynamics including the electron excitation, energy absorption and electron density evolution are described in this Letter. In addition, the relationships among average absorbed energy, Keldysh parameter and laser intensity are revealed when the laser frequency is fixed.     

Superconductivity and normal state resistivity of Ba0.6K0.4BiO3: an optical phonon approach

We discuss the nature of the pairing mechanism and the physical properties associated with the normal as well as the superconducting state of cubic perovskites Ba_0.6K_0.4BiO₃using the strong coupling theory. An interaction potential which includes the Coulomb, electron–optical phonon and electron–plasmon interactions is developed to elucidate the superconducting state. A model dielectric function is constructed with these interactions fulfilling thef-sum rule. The screening parameter (μ^* = 0.26) infers the poor screening of charge carriers. The electron–optical phonon strength (λ) estimated as 0.98 is consistent with an attractive electron–electron interaction and supports the moderate to strong coupling theory. The superconducting transition temperature of Ba_0.6K_0.4BiO₃is then estimated as 32 K. Ziman's formula of resistivity is employed to analyse and compare this with the temperature-dependent resistivity of a single crystal. The estimated contribution from the electron–optical phonon together with the residual resistivity clearly infers a difference when a comparison is made with experimental data. The subtracted data infer a quadratic temperature dependence in the temperature domain (30 ≤ T ≤ 200 K). The quadratic temperature dependence of ρ [ = ρ_exp − (ρ₀ + ρ_e–ph)] is understood in terms of 3D electron–electron inelastic scattering. The presence of these el–el and el–ph interactions allows a coherent interpretation of the physical properties. Analysis reveals that a moderate to strong coupling exists in the Ba_0.6K_0.4BiO₃system and the coupling of electrons with the high-energy optical phonons of the oxygen breathing mode will be a reason for superconductivity. The implications of the above analysis are discussed.     

Semiclassical treatment of light-ion induced alignment of theL 3-subshell in heavy atoms

Light ion induced alignment measurements ofL ₃-subshell in heavy atoms are analyzed within the framework of the semiclassical theory of inner shell ionization. Coulomb deflection effects are exactly taken into account by hyperbolic classical orbits while the electron in the initial and final states is approximated by screened relativistic hydrogenic wave functions. Satisfactory agreement between experiments and theory is obtained for proton- and α-particle induced reactions within the whole region of bombarding energies.     

Nb,Ag原子的K壳层和L壳层电离截面的理论计算

电子离子碰撞电离截面是模拟激光等离子体的超热电子的能谱和产额的主要过程之一.基于相对论性的电子离子碰撞的K壳层电离截面理论,计算了Nb、Ag的K壳层和L壳层电子碰撞电离截面,结果和最近的文献实验数值和其它理论数值进行了比较,计算结果比其它模型更加准确,与最近的实验结果也吻合较好,该结果可用来模拟激光等离子体的超热电子能谱和产额.     

Phase transitions in quantum plasmas

We present a theory for a critical point and phase transitions in quantum plasmas (QPs). We use a newly obtained Lennard-Jones-type interaction potential or an oscillating exponential-screened Coulomb potential around ions that are screened by degenerate electrons in an unmagnetized QP. Expressions for the free energy and an equation of state for non-degenerate ions are obtained. It is found that the existence of a critical point and phase separations in our QPs depends on the Wigner–Seitz electron radius and the equilibrium ion temperature. Our results are relevant for understanding superdense astrophysical objects such as the cores of white dwarfs.     

Electron mobility variance in the presence of an electric field: Electron–phonon field-induced tunnel scattering

The problem of electron mobility variance is discussed. It is established that in equilibrium semiconductors the mobility variance is infinite. It is revealed that the cause of the mobility variance infinity is the threshold of phonon emission. The electron–phonon interaction theory in the presence of an electric field is developed. A new mechanism of electron scattering, called electron–phonon field-induced tunnel (FIT) scattering, is observed. The effect of the electron–phonon FIT scattering is explained in terms of penetration of the electron wave function into the semiconductor band gap in the presence of an electric field. New and more general expressions for the electron–non-polar optical phonon scattering probability and relaxation time are obtained. The results show that FIT transitions have principle meaning for the mobility fluctuation theory: mobility variance becomes finite.     

Quarkonium and hydrogen spectra with spin-dependent relativistic wave equation

The non-linear non-perturbative relativistic atomic theory introduces spin in the dynamics of particle motion. The resulting energy levels of hydrogen atom are exactly the same as that of Dirac theory. The theory accounts for the energy due to spin-orbit interaction and for the additional potential energy due to spin and spin-orbit coupling. Spin angular momentum operator is integrated into the equation of motion. This requires modification to classical Laplacian operator. Consequently, the Dirac matrices and the k operator of Dirac’s theory are dispensed with. The theory points out that the curvature of the orbit draws on certain amount of kinetic and potential energies affecting the momentum of electron and the spin-orbit interaction energy constitutes a part of this energy. The theory is developed for spin-1/2 bound state single electron in Coulomb potential and then extended further to quarkonium physics by introducing the linear confining potential. The unique feature of this quarkonium model is that the radial distance can be exactly determined and does not have a statistical interpretation. The established radial distance is then used to determine the wave function. The observed energy levels are used as the input parameters and the radial distance and the string tension are predicted. This ensures 100% conformance to all observed energy levels for the heavy quarkonium.     

Single photoeffect on helium-like ions in the non-relativistic region

We present a generalization of the pioneering results obtained for single K-shell photoionization of H-like ions by M. Stobbe [M. Stobbe, Ann. Phys. 7 (1930) 661] to the case of the helium isoelectronic sequence. The total cross section of the process is calculated, taking into account the correlation corrections to first order of the perturbation theory with respect to the electron–electron interaction. Predictions are made for the entire non-relativistic energy domain. The phenomenon of dynamical suppression of correlation effects in the ionization cross section is discussed.     

Plasma screening within Rydberg atoms in circular states

A Rydberg atom embedded in a plasma can experience penetration by slowly moving electrons within its volume. The original pure Coulomb potential must now be replaced by a screened Coulomb potential which contains either a screening length R_s or a screening factor A = R_s ^-1 . For any given discrete energy level, there is a Critical Screening Factor (CSF) A_c beyond which the energy level disappears (by merging into the continuum). Analytical results are obtained for the classical dependence of the energy on the screening factor, for the CSF, and for the critical radius of the electron orbit for Circular Rydberg States (CRS) in this screened Rydberg atom. The results are derived for any general form of the screened Coulomb potential and are applied to the particular case of the Debye potential. We also show that CRS can temporarily exist above the ionization threshold and are therefore the classical counterparts of quantal discrete states embedded into continuum. The results are significant not only to Rydberg plasmas, but also to fusion plasmas, where Rydberg states of multi-charged hydrogen-like ions result from charge exchange with hydrogen or deuterium atoms, as well as to dusty/complex plasmas.     

Spin-dependent shot noise of inelastic transport through molecular quantum dots

Here we present a theoretical analysis of the effect of inelastic electron scattering on spin-dependent transport characteristics (conductance, current–voltage dependence, magnetoresistance, shot noise spectrum, Fano factor) for magnetic nanojunction. Such device is composed of molecular quantum dot (with discrete energy levels) connected to ferromagnetic electrodes (treated within the wide-band approximation), where molecular vibrations are modeled as dispersionless phonons. Non-perturbative computational scheme, used in this work, is based on the Green's function theory within the framework of mapping technique (GFT–MT), which transforms the many-body electron–phonon interaction problem into a single-electron multi-channel scattering problem. The consequence of the localized electron–phonon coupling is polaron formation. It is shown that polaron shift and additional peaks in the transmission function completely change the shape of considered transport characteristics.     

Bipolaron in a quasi-0D quantum dot

Bipolaron states in a quasi-0D quantum dot with a spherical parabolic confinement potential are investigated by applying the Feynman variational principle. The bipolaron coupling energy and self-action potential energy are found to increase with an increase in the Fröhlich electron–phonon-coupling constant. There is also a non-monotonic dependence of the bipolaron coupling energy on the quantum dot radius. With decreasing structure radius the bipolaron coupling energy increases. However, from a critical radius it starts decreasing as the radius decreases, due to the dominance of the coulomb-to-phonon mediated interaction. When electrons in the bipolaron are forcefully neighboured, the polarization of the structure is intensified and consequently there is Coulomb repulsion. The possibility of bipolaron formation depends on the strength of the direct Coulomb repulsion which, in turn, depends on the quantum dot radius. The main contribution to the bipolaron coupling energy comes from the self-action potential. This self-action potential energy influences the energy state of the bipolaron considerably. The ratio of optical-to-static dielectric constants significantly affects the bipolaron coupling energy.     

Li+低能(e,2e)反应角分布

利用修正的BBK理论，考虑入射道的库仑相互作用及出射电子的交换对称性，在共面-等能分享-垂直角度碰撞几何中，分别计算了能量为79.6，105.6，227.6和375.6eV的入射电子碰撞Li⁺(1s²)(e，2ｅ)反应三重微分截面(TDCS).结果表明：在接近阈能的碰撞中，两出射电子连线平行于入射电子方向时，TDCS最大；两出射电子连线垂直于入射电子方向时，TDCS最小；入射电子能量达5倍的电离阈能时，主要为单次双体碰撞，而且入射道库仑场对决定低能碰撞的TDCS起着重要作用. 关键词：     

Fine splits of photon emission spectrum of hydrogen atom caused by transitions between different dressed states in intense high frequency laser field

The photon emission spectrum of the hydrogen atoms in an intense high-frequency laser pulse is simulated by using one-dimensional soft Coulomb potential. Regular fine structures appear on the two sides of both the odd and even multiples of photon energy of the laser field besides the ordinary odd harmonic peaks. It is proved that the splits of the fine structures are responsible for hyper-Raman lines and the energy spacing between the odd harmonic lines is equal to the difference in energy between the eigenstates with the same parity of the time averaged Krameters Henneberger （KH） potential. By analysing the features of the fine structures, we also verify that the so-called even order harmonics under the stabilization condition are indeed hyper-Raman lines caused by the transitions between the dressed atomic states with different values of parity.     

Thermoelectric effect in a bi-layer system

We show that an electric field appears in one layer of a bi-layer semiconductor system when a temperature gradient is applied in the other one. This trans-layer Seebeck effect exists on account of the inter-layer long-range electron–electron scattering and represents a generalization of the Coulomb drag phenomenon, defined as the mutual friction of two electron systems, to thermal perturbations. An effective thermopower coefficient α_D is calculated within the random-phase approximation for the Coulomb interaction. At low temperature, α_D is found to be directly proportional to the electron–electron scattering rate in 2D, .     

Comparative analysis of the strong-field ionization of a quantum system with the Coulomb and short-range potentials

The dynamics of a hydrogen atom and a 3D model quantum system with a short-range potential is investigated using the direct numerical integration of the nonstationary Schrödinger equation in a wide range of laser intensities and frequencies. The simulation data are compared with the predictions of variants of the Keldysh-type theories. It is demonstrated that, in the low-frequency (tunnel) limit, the ionization rates of the systems with the Coulomb and short-range potentials and the same values of the ionization potential significantly differ from each other whereas, in the high-frequency (single-photon) limit, we do not observe a substantial difference between the ionization rates. Specific features of the angular distribution of the photoelectron emission and the photoelectron energy spectra are investigated in detail. In addition, the ionization suppression is studied for both Coulomb- and short-range-potential atoms. The stabilization is due to the dramatic reconstruction of the atom in the presence of a strong laser field and the formation of a new system (Kramers-Henneberger atom) that exhibits an increasing resistance to the ionization upon an increase in the laser intensity. In the two-photon ionization regime, the stabilization phenomenon is substantially more pronounced for the system with the Coulomb potential. This results from the effective excitation of the Rydberg states of the dressed atom in the strong-field limit.     

Density functional investigation of structural and electronic properties of small bimetallic silver–gold clusters

Structural and electronic properties of bimetallic silver–gold clusters up to eight atoms are investigated by the density functional theory using Wu and Cohen generalized gradient approximation functional. By substitution of Ag and Au atoms, in the optimized lowest energy structures of pure gold and silver clusters, we determine the ground state conformations of the bimetallic silver–gold ones. We reveal that Ag atoms prefer internal positions whereas Au atoms prefer exposed ones favoring charge transfer from Ag to Au atoms. For each size and composition, binding energy, HOMO–LUMO gap, magnetic moment, vertical ionization potential, electron affinity and chemical hardness were calculated. On increasing the size of the cluster by varying number of Ag atoms with fixed number of Au ones, vertical ionization potential and electron affinity show obvious odd–even oscillations consistent with the pure Ag and Au clusters. Au atoms inclusion in the cluster increases the binding energy and vertical ionization potential, indicating higher stability as the number of Au atoms grows. The variation of chemical hardness with the composition in a cluster with the same size shows peaks when the number of Ag atoms is greater than or equal to Au ones, corresponding to transition from planar to tri-dimensional structures. For clusters with even number of atoms, the peaks indicate that the clusters with the same number of Ag and Au atoms are the most stable ones. Analyzing the density of states, we found that increasing the concentration of Ag atoms affects the energy separation between the HOMO and the low lying occupied states.     

单电子三势垒隧穿结I-V特性研究

在正统理论的基础上，提出了单电子三势垒隧穿结模型的主方程，并用线性方程组解法求出了其稳态解.通过数值模拟，得到了该系统的I-V特性曲线.发现其有别于双势垒隧穿结的情况，在传统库仑台阶的平台处曲线存在波纹状结构，分析得出这是由于第二个库仑岛上的电子数变化对I-V曲线的影响.此外，研究了各物理参数对I-V曲线的影响，发现三结系统可以降低对温度的要求，并应用Fermi能级处的能级间隔估算出出现库仑台阶现象的最高温度Tmax，为相关单电子器件的参数选择提供了理论依据. 关键词： 正统理论 库仑台阶 主方程 隧穿概率     

Effect of electron–phonon interaction on surface states in wurtzite nitride semiconductors under pressure

A variational theory is proposed to study the electronic surface states in semi-infinite wurtzite nitride semiconductors under the hydrostatic pressure. The electronic surface state energy level is calculated, by taking the effects of the electron–Surface–Optical–phonon interaction, structural anisotropy and the hydrostatic pressure into account. The numerical computation has been performed for the electronic surface state energy levels, coupling constants and the average penetrating depths of the electronic surface state wave functions under the hydrostatic pressure for wurtzite GaN, AlN and InN, respectively. The results show that electron–Surface–Optical–phonon interaction lowers the electronic surface state energy levels. It is also found that the electronic surface state energy levels decrease with the hydrostatic pressure in wurtzite GaN and AlN. But for wurtzite InN, the case is contrary. It is shown that the hydrostatic pressure raised the influence of electron–phonon interaction on the electronic surface states obviously. The effect of electron–Surface–Optical–phonon interaction under the hydrostatic pressure on the electronic surface states cannot be neglected, in specially, for materials with strong electron–phonon coupling and wide band gap.     

Introduction of the Coulomb dressed potential into atomic scattering

The model of the Coulomb dressed potential is applied to solving the problem of electron scattering for simplifying the calculation in the electrostatic field and the excimer laser field. The introduction and the application of the model are based on the electric dipole approximation, so the contribution of the electric multipole is neglected. In this paper, rigorous analysis and deduction are carried out for the introduction of the dressed Coulomb potential into the laser field. It is found that the introduction of the dressed potential in the fractional form is feasible only when the laser field (not including far ultraviolet field and x-ray) is a weak field, i.e. the quiver radius of the free electron is smaller than the atomic scale. In addition, the necessary analysis is also conducted of the limitation of the application of the Coulomb dressed potential.