分子和团簇在外场作用下的电子离子响应

粒子在强含时外场作用下运动的非微扰量子力学描述是理论物理当前一个重要的研究领域。本论文借鉴已有的含时密度泛函理论的应用经验和方法，在FHI98MD基础上，发展了一个描述复杂体系电子动力学的时间相关局域密度近似模型，并利用该模型完成了以下研究工作。研究了小Nan团簇的光吸收谱，计算结果较好地再现了实验谱。结果表明n=2~4的Na团簇具有二维平面结构；n=6的Na团簇开始出现三维结构。在冻结离子近似下，研究了H2和N2在强激光作用下的电离和高次谐波的产生，结果表明电离几率随着分子取向角的增大而减小，高次谐波的截止频率随着分子取向角的增大而向高能方向移动，平台区高阶谐波的强度随分子取向角的增大而减小，趋势与实验结果一致。同时研究了Na2在单双色激光场中的电离和谐波的产生，发现Na2的谐波与其它原子分子不同，没有出现大范围的平台区；双色激光使偶数阶谐振子产生，电离几率有所增加。将电子自由度和离子自由度耦合，研究了激光作用下Na2+的电离和解离行为，结果与对态的分析是吻合的，表明该模型描述电离和解离的有效性。详细研究了Na2、Na4以及H2O在重离子作用下的离化，结果表明电离几率与入射离子电荷态和速度以及团簇尺寸有关。该研究是建立重离子与生物分子相互作用微观模型的基础

Nanocluster-containing mesoporous magnetoceramics from hyperbranched organometallic polymer precursors

Pyrolysis of hyperbranched poly[1,1'-ferrocenylene(methyl)silyne] (5) yields mesoporous, conductive, and magnetic ceramics (6). Sintering at high temperatures (1000-1200 degrees C) under nitrogen and argon converts 5 to 6N and 6A, respectively, in similar to 48-62% yields. The ceramization yields of 5 are higher than that (similar to 36%) of its linear counterpart poly[1,1'-ferrocenylene(dimethyl)silylene] (1), revealing that the hyperbranched polymer is superior to the linear one as a ceramic precursor. The ceramic products 6 are characterized by SEM, XPS, EDX, XRD, and SQUID. It is found that the ceramics are electrically conductive and possess a mesoporous architecture constructed of tortuously interconnected nanoclusters. The iron contents of 6 estimated by EDX are 36-43%, much higher than that (11%) of the ceramic 2 prepared from the linear precursor 1. The nanocrystals in 6N are mainly alpha-Fe2O3 whereas those in 6A are mainly Fe3Si. When magnetized by an external field at room temperature, 6A exhibits a high-saturation magnetization (M-s similar to 49 emu/g) and near-zero remanence and coercivity; that is, 6A is an excellent soft ferromagnetic material with an extremely low hysteresis loss.

Effective ac response in weakly nonlinear composites

The perturbation method is developed to deal with the problem of determining the effective nonlinear conductivity of Kerr-like nonlinear media under an external ac electric field. As an example, we have considered the cylindrical inclusion embedded in a host under the sinusoidal external field E-1 sin(omegat) + E-3 sin(3omegat) with frequencies omega and 3omega. The potentials of composites at higher harmonics are derived in both local inclusion particle and host regions. The effective responses of bulk nonlinear composites at basic frequency and harmonics are given for cylindrical composites in the dilute limit. Moreover, the relationships between the nonlinear effective responses at the basic frequency and the third harmonics are derived.

The effects of nonlinear couplings and external magnetic field on the thermal entanglement in a two-spin-qutrit system

We investigate the effects of nonlinear couplings and external magnetic field on the thermal entanglement in a two-spin-qutrit system by applying the concept of negativity. It is found that the nonlinear couplings favor the thermal entanglement creating. Only when the nonlinear couplings vertical bar K vertical bar are larger than a certain critical value does the entanglement exist. The dependence of the thermal entanglement in this system on the magnetic field and temperature is also presented. The critical magnetic field increases with the increasing nonlinear couplings constant vertical bar K vertical bar. And for a fixed nonlinear couplings constant, the critical temperature is independent of the magnetic field B. (c) 2005 Elsevier B.V. All rights reserved.

Long lifetime plasma channel in air generated by multiple femtosecond laser pulses and an external electrical field

The lifetime of a plasma channel produced by self-guiding intense femtosecond laser pulses in air is largely prolonged by adding a high voltage electrical field in the plasma and by introducing a series of femtosecond laser pulses. An optimal lifetime value is realized through adjusting the delay among these laser pulses. The lifetime of a plasma channel is greatly enhanced to 350 ns by using four sequential intense 100fs( FWHM) laser pulses with an external electrical field of about 350kV/m, which proves the feasibility of prolonging the lifetime of plasma by adding an external electrical field and employing multiple laser pulses. (c) 2006 Optical Society of America.

Optimization of nonvolatile holographic recording by application of an external electric field

The dependences of the recording properties of LiNbO3:Fe:Mn crystals on an external electric field (applied in the recording or fixing phase of the nonvolatile holographic recording process) are numerically investigated and the optimal conditions for applying an external electric field in this two-step process of nonvolatile holographic recording are discussed in detail. Significant improvement of the photorefractive performance has been found and experimental verifications using a small external electric field are described. Moreover, direct measures relating to the dominant photovoltaic mechanism in the doubly doped LiNbO3 crystals and the unconventional grating-enhanced fixing are revealed by applying an external electric field in the recording and the fixing phases, respectively.

Improvement in refractive-index change in LiNbO3 : Ce : Cu by applying an external electric field

By jointly solving two-centre material equations with a nonzero external electric field and coupled-wave equations, we have numerically studied the dependence of the non-volatile holographic recording in LiNbO3:Ce:Cu crystals on the external electric field. The dominative photovoltaic effect of the non-volatile holographic recording in doubly doped LiNbO3 crystals is directly verified. And an external electric field that is applied in the positive direction along the c-axis (or a large one in the negative direction of the c-axis) in the recording phase and another one that is applied in the negative direction of the c-axis in the fixing phase are both proved to benefit strong photorefractive performances. Experimental verifications are given with a small electric field applied externally.

DTADH and quantum critical phenomena caused by anisotropy and external magnetic field for spin-1/2 Heisenberg diamond chains

Using the transfer matrix renormalization group (TMRG) method, we study the connection between the first derivative of the thermal average of driving-term Hamiltonian (DTADH) and the trace of quantum critical behaviors at finite temperatures. Connecting with the exact diagonalization method, we give the phase diagrams and analyze the properties of each phase for both the ferromagnetic and anti-ferromagnetic frustrated J(3) anisotropy diamond chain models. The finite-temperature scaling behaviors near the critical regions are also investigated. Further, we show the critical behaviors driven by external magnetic field, analyze the formation of the 1/3 magnetic plateau and the influence of different interactions on those critical points for both the ferrimagnetic and anti-ferromagnetic distorted diamond chains.

Effects of external magnetic field on the effective g factor of (Ga,Mn)As

With the help of time resolved magneto-optic Kerr rotation measurements, the optically induced spin precession in heavily doped diluted magnetic semiconductor Ga0.937Mn0.063 As was observed. It was found that the effective g factor increases with increasing magnetic field, which is attributed to the magnetic-field-induced increase of the density of the non-localized holes. Those free holes will couple with the localized magnetic ions by p-d interactions, leading to the formation of spontaneous magnetization in Ga0.937Mn0.063As, which in turn to the enhancement of the effective g factor.

Mesoscopic Fano effect modulated by Rashba spin-orbit coupling and external magnetic field

By employing non-equilibrium Green's function method, the mesoscopic Fano effect modulated by Rashba spin-orbit (SO) coupling and external magnetic field has been elucidated for electron transport through a hybrid system composed of a quantum dot (QD) and an Aharonov-Bohm (AB) ring. The results show that the orientation of the Fano line shape is modulated by the Rashba spin-orbit interaction k(R)L variation, which reveals that the Fano parameter q will be extended to a complex number, although the system maintains time-reversal symmetry (TRS) under the Rashba SO interaction. Furthermore, it is shown that the modulation of the external magnetic field, which is applied not only inside the frame, but also on the QD, leads to the Fano resonance split due to Zeeman effect, which indicates that the hybrid is an ideal candidate for the spin readout device. (C) 2007 Elsevier B.V All rights reserved.

Semiconductor-metal transition in InSb nanowires and nanofilms under external electric field

The electronic structures, Rashba spin-orbit couplings, and transport properties of InSb nanowires and nanofilms are investigated theoretically. When both the radius of the wire (or the thickness of the film) and the electric field are large, the electron bands and hole bands overlap, and the Fermi level crosses with some bands, which means that the semiconductors transit into metals. Meanwhile, the Rashba coefficients behave in an abnormal way. The conductivities increase dramatically when the electric field is larger than a critical value. This semiconductor-metal transition is observable at the room temperature. (c) 2006 American Institute of Physics.

Electronic structure of InSb quantum ellipsoids in an external magnetic field

The shape dependence of electronic structure, electron g factors in the presence of the external magnetic field of InSb quantum ellipsoids are investigated in the framework of eight-band effective-mass approximation. It is found that as the increasing aspect ratio e, the electron states with P character split into three doublets for the different physical interaction and the light-hole states with S character come up to the top of valence bands at e = 2.6 in comparison with the heavy-hole states. In the presence of the external magnetic field, the energy splits of electron states are different for their wave function distribution direction, and the hole ground state remain optical active for a suitable aspect ratio. The electron g factors of InSb spheres decrease with increasing radius, and have the value of about two for the smallest radius, about -47.2 for sufficiently larger radius, similar to the bulk material case. Actually, the electron g factors decrease as any one of the three dimensions increase. The more dimensions increase, the more g factors decrease. The dimensions perpendicular to the direction of the magnetic field affect the g factors more than the other dimensions. (c) 2006 Elsevier B.V. All rights reserved.

Thermal entanglement in a two-spin-qutrit system under a nonuniform external magnetic field

The thermal entanglement in a two-spin-qutrit system with two spins coupled by exchange interaction under a magnetic field in an arbitrary direction is investigated. Negativity, the measurement of entanglement is calculated. We find that for any temperature the evolvement of negativity is symmetric with respect to magnetic field. The behavior of negativity is presented for four different cases. The results show that for different temperature; different magnetic field give maximum entanglement. Both the parallel and antiparallel magnetic field cases are investigated qualitatively (not quantitatively) in detail, we find that the entanglement may be enhanced under an antiparallel magnetic field.

EFFECTS OF AN EXTERNAL MAGNETIC-FIELD ON SHALLOW DONOR LEVELS IN SEMICONDUCTORS

An extension of Faulkner's method for the energy levels of the shallow donor in silicon and germanium at zero field is made in order to investigate the effects of a magnetic field upon the excited states. The effective-mass Hamiltonian matrix elements of an electron bound to a donor center and subjected to a magnetic field B, which involves both the linear and quadratic terms of magnetic field, are expressed analytically and matrices are solved numerically. The photothermal ionization spectroscopy of phosphorus in ultrapure silicon for magnetic fields parallel to the [1,0,0] and [1,1,1] directions and up to 10 T is explained successfully.