光合作用体系捕光复合物线性和非线性光谱的理论研究：修正的Redfield方法的验证

使用数值精确的级联方程方法对其计算可靠性进行了验证．目前已知,修正的Redfield方法所用的微扰和马尔科夫近似,在中间耦合区对激发态能量转移会给出不正确的描述．因此研究其在计算各 种光谱信号时是否仍然有效有重要意义．利用不同参数下的二聚体模型和Fenna-Matthews-Olson复合物模型,使用级联方程方法和修正的Redfield方法,计算并比较了它们的吸收谱、发射谱和二维电子相干光谱．研究发现在较大的参数范围内两种方法给出一致的结果,这两种方法的对比也增进了对光合作用捕光复合物的2D光谱中量子拍频信号来源的认识．     

Metal-insulator transition in self-consistent localization theory with inclusion of electron-electron interaction effects

The frequency behavior of the generalized diffusion coefficient in both the metallic and insulating regions has been studied numerically within the self-consistent localization theory extended to include electron-electron interaction. The behavior of single-particle density of states near the metal-insulator transition is considered. The single-particle density of states is calculated taking into account the effect of electron-electron interaction on the generalized diffusion coefficient. Fiz. Tverd. Tela (St. Petersburg) 39, 412–417 (March 1997)     

Calculation of the anisotropic mobility in (110) AlAs quantum wells at zero temperature

We calculate the mobility of the two-dimensional electron gas as realized in (110) AlAs quantum wells at zero temperature. In this structure the mass is strongly anisotropic which gives rise to an anisotropic mobility. By using a theoretical approach developed by Tokura [Phys. Rev. B 58, 7151 (1998)] we numerically calculate the anisotropic mobility. We study impurity scattering in quantum wells having an ellipsoidal Fermi surface. We find that increasing the electron density and/or the well width results in reduction of the anisotropy of the mobility while the anisotropy in the scattering time is increased. A strong dependence of the mobility anisotropy on the impurity position is predicted. Excellent agreement with a recently published experimental result is found under the assumption that impurities are located at the edge of the quantum well.     

时间无卷积广义主方程中核函数的精确解和高阶微扰展开:在自旋-玻色模型和激发态能量转移中的应用

The time-convolutionless (TCL) quantum master equation provides a powerful tool to simulate reduced dynamics of a quantum system coupled to a bath. The key quantity in the TCL master equation is the so-called kernel or generator, which describes effects of the bath degrees of freedom. Since the exact TCL generators are usually hard to calculate analytically, most applications of the TCL generalized master equation have relied on approximate generators using second and fourth order perturbative expansions. By using the hierarchical equation of motion (HEOM) and extended HEOM methods, we present a new approach to calculating the exact TCL generator and its high order perturbative expansions. The new approach is applied to the spin-boson model with different sets of parameters, to investigate the convergence of the high order expansions of the TCL generator. We also discuss circumstances where the exact TCL generator becomes singular for the spin-boson model, and a model of excitation energy transfer in the Fenna-Matthews-Olson complex.     

Two-dimensional electron gas in double quantum wells with tilted bands

When a voltage is applied to double quantum wells based on AlGaAs/GaAs heterostructures with contact regions (n-i-n structures), a two-dimensional (2D) electron gas appears in one of the quantum wells. Under illumination which generates electron-hole pairs, the photoexcited holes become localized in a neighboring quantum well and recombine radiatively with the 2D electrons (tunneling recombination through the barrier). The appearance, ground-state energy, and density of the degenerate 2D electron gas are determined from the structure of the Landau levels in the luminescence and luminescence excitation spectra as well as from the oscillations of the radiative recombination intensity in a magnetic field with detection directly at the Fermi level. The electron density is regulated by the voltage between the contact regions and increases with the slope of the bands. For a fixed slope of the bands the 2D-electron density has an upper limit determined by the resonance tunneling of electrons into a neighboring quantum well and subsequent direct recombination with photoexcited holes. Pis’ma Zh. éksp. Teor. Fiz. 65, No. 11, 840–845 (10 June 1997)     

Energy spectra and quantum crystallization in two-electron quantum dots in a magnetic field

Quantum crystallization of electrons in a quantum dot (QD) subjected to an external magnetic field is considered. Two-electron QDs with two-dimensional (2D) parabolic confining potential in an external transverse magnetic field are calculated. The Hamiltonian is numerically diagonalized in the basis of one-particle functions to find the energy spectra and wave functions for the relative motion of electrons with inclusion of electron-electron interaction for a broad range of the confining-potential steepness (α) and external magnetic fields (B). The region of the external parameters (α, B) within which a gradual transition to quantum crystalline order occurs is numerically determined. In contrast to a 2D unbounded system, a magnetic field acts nonmonotonically on “crystallization” in a quantum dot with several electrons because of a competition between two effects taking place with increasing B, namely, decreasing spread of the electron wave functions and increasing effective steepness of the confining potential, which reduces the average separation between electrons. Fiz. Tverd. Tela (St. Petersburg) 40, 1753–1759 (September 1998)     

PbTe/CdTe量子点的光学增益

PbTe/CdTe量子点是一类新型异系低维结构材料，实验发现具有强的室温中红外光致发光现象.为研究这一材料体系的发光特性，建立了理论模型，计算了PbTe/CdTe量子点的光学跃迁和增益.模型基于k·p包络波函数方法并考虑了PbTe能带结构的各向异性.分析了量子点光学增益与量子点尺寸、注入载流子浓度的关系.结果表明，当注入载流子浓度在(0.3—3)×10¹⁸cm^-3范围时，尺寸为15—20nm的量子点可以产生 关键词： PbTe/CdTe量子点 光学增益 铅盐矿半导体     

SYNTHESIS AND SPECTROSCOPIC PROPERTIES OF HIGHLY PURE PERYLENE FLUORESCENT DYES

Two new perylene dye, N, N′-bis-(aminododecyl)-3, 4, 9, 10-perylenebis (dicarboximide) (1) and N, N′-bis-(4-chlorophenyl)-3, 4, 9, 10-perylenebis (dicarboximide) have been synthesized. Because the solubility of perylene derivatives is very low, their synthesis and purification are difficult. The imides 1 and 2 are easily prepared with high yield. Dye 2 has a lower density than the density of air. They are highly fluorescent and very photostable dyes. With high fluorescent quantum yield they are suggested as new convenient standards for the fluorescence quantum yield measurements in 500–650 nm region. The report includes the electronic absorption and emission spectra, extinction coefficients and fluorescence quantum yields. Applications of the dyes are discussed.     

Numerical on-the-fly implementation of the action of the kinetic energy operator on a vibrational wave function: application to methanol

ABSTRACT

In quantum dynamics, physically well-adapted curvilinear coordinates are coordinates that lead to a Hamiltonian operator as separable as possible, in order to simplify the resolution of the corresponding time-independent or time-dependent Schrödinger equations. Various equivalent curvilinear expressions of the kinetic energy operator (KEO) are well known. They can be used in either an analytical or a numerical approach. The latter has the feature of allowing to straightforwardly compute the KEO in terms of sophisticated (yet easy to define) physically well-adapted curvilinear coordinates. Nevertheless, the number of terms to be computed on a full grid, scales as n²/2 (n being the number of degrees of freedom), so that, for systems with n?>?10, the memory storage of the KEO's becomes extremely demanding and therefore often unrealistic. We show here that it is possible, starting from the basic quantum expression of the KEO as a curvilinear Laplacian operator, to reduce the memory storage bottleneck by numerically computing the KEO on-the-fly, i.e. each time it is required, without computing the extrapotential term. This new approach opens the way to rigorous quantum studies of systems with many degrees of freedom. The comparison of torsional levels of methanol obtained by the present on-the-fly method with our previous results shows excellent agreement.