液体多脉冲及2D NMR实验的计算机模拟

现代多脉冲及2D NMR技术是过去十年中发展起来的崭新的NMR实验方法。计算机模拟做为NMR实验的强有力分析手段已日益受到重视。国内这方面工作开展得尚很少；国外发表的工作主要采用的是数字模拟，存在分析结果不够直观、物理意义不够清晰等缺陷。本论文工作采用乘积算符方法研制出对分析多脉冲及2D NMR实验普适的模拟程序PROPER；在乘积算符基础上，针对磁等性自旋体系，提出了实用的对称化乘积算符及多量子积算符方法。一、多脉冲及2D NMR实验的计算机模拟 1. 采用乘积算符方法在本所PDP－11／23微机上研制了多脉冲及2D NMR实验的模拟程序PROPER。该程序对不超过4核（I ＝ 1／2）的同核及异核弱耦合自旋体系非选择性脉冲序列的分析是普遍适用的。受计算机内存的限制，PROPER程序所能处理的脉冲序列脉冲间隔数目一般不超过10。2. 应用PROPER模拟程序对INEP和DEPT脉冲序列进行了分析比较；特别对BIRD脉冲序列的各种相位变型进行了模拟分析，给出了分析结果，分析过程中考虑了影响BIRD作用效果的同核耦合因素。应用结果表明，PROPER程序计算正确、迅速、给出的模拟结果较通常的数字模拟方法简单、直观、物理意义清楚，便于分析。由于采用算符模拟，结果的输出打印比较费时。目前，PROPER程序正在改进和完善之中。二、多脉冲及2D NMR实验的密度算符描述 1. 针对磁等性自旋（I ＝ 1／2）体系，首次提出了对称化乘积算符描述方法。在通常的乘积算符基础上，引入了对称化乘积算符，并对其数理基础进行了详细论证。推导了算符循环对易关系决定的Liourill-Von Neumann方程的解，给出了算符间普遍存在的循环对易关系及其相应的演化公式。据此，以InS(I = 1/2, S = 1/2; n = 2,3)自旋体系为例，对DEPT脉冲序列进行了分析；结果表明，该方法较通常的乘积算符方法对磁等性自旋体系的分析要简单、实用，且物理意义更加明确。由于该方法涉及较多的算符对易关系，因此不易计算机编程。2. 在对称化乘积算符基础上引入了多量子积算符的概念。以In(I = 1/2; n = 2,3)体系为例，给出了两者的互换关系。推导出了具有标量耦合作用的两组合粒子体系普适的多量子积算符环对易关系及相应的演化解析式。多量子积算符方法可望将1／2－自旋磁等性组合粒子表象与自旋大于1／2的单粒子表象统一起来，并为计算机模拟提供新的数学方法。该方法尚有待于进一步研究。

CHARACTERISTICS OF THE MAGNETIC DEPOPULATION OF SUBBANDS IN VERY NARROW SYSTEMS

We present a model for electrons confined in narrow conducting channels by a parabolic well under moderate to high magnetic fields which takes into account a cutoff in the filling of the subbands. Such a cutoff gives rise to energy-separated subbands and a two-dimensional (2D) like subband depopulation, resulting in a relation between sublevel index n and inverse magnetic field B-1 such that in the high-field regime it changes over to the well-known 2D form as expected, and in the moderate field regime it shows pronounced deviation from linearity. This agrees well with the experimental results. The linear region of the n-B-1 experimental plot is believed to arise from the two dimensionality of the system. Calculations show that no resolvable 1D sublevel exists in the 0.5-mu-m-wide wire at very small magnetic fields (including zero field), which agrees qualitatively with the experimental results found in other wires that the Hall resistance, R(H), approaches its classical value B/n(e)e in this region and R(H) = 0 at B = 0, where n(e) is the electron concentration. In this model the linear and nonlinear regions in the experimental n-B-1 plot are used to extract the characteristic frequency omega-0, and the effective 2D electron concentration N(e)2D, respectively.

Correlation of electrical and optical properties in dually Cd+ and N+ ion-implanted GaAs

Cd in GaAs is an acceptor atom and has the largest atomic diameter among the four commonly-used group-II shallow acceptor impurities (Be, Mg, Zn and Cd). The activation energy of Cd (34.7 meV) is also the largest one in the above four impurities, When Cd is doped by ion implantation, the effects of lattice distortion are expected to be apparently different from those samples ion-implanted by acceptor impurities with smaller atomic diameter. In order to compensate the lattice expansion and simultaneously to adjust the crystal stoichiometry, dual incorporation of Cd and nitrogen (N) was carried out into GaAs, Ion implantation of Cd was made at room temperature, using three energies (400 keV, 210 keV, 110 keV) to establish a flat distribution, The spatial profile of N atoms was adjusted so as to match that of Cd ones, The concentration of Cd and N atoms, [Cd] and [N] varied between 1 x 10(16) cm(-3) and 1 x 10(20) cm(-3). Two type of samples, i.e., solely Cd+ ion-implanted and dually (Cd+ + N+) ion-implanted with [Cd] = [N] were prepared, For characterization, Hall effects and photoluminescence (PL) measurements were performed at room temperature and 2 K, respectively. Hall effects measurements revealed that for dually ion-implanted samples, the highest activation efficiency was similar to 40% for [Cd] (= [N])= 1 x 10(18) cm(-3). PL measurements indicated that [g-g] and [g-g](i) (i = 2, 3, alpha, beta,...), the emissions due to the multiple energy levels of acceptor-acceptor pairs are significantly suppressed by the incorporation of N atoms, For [Cd] = [N] greater than or equal to 1 x 10(19) cm(-3), a moderately deep emission denoted by (Cd, N) is formed at around 1.45-1.41 eV. PL measurements using a Ge detector indicated that (Cd, N) is increasingly red-shifted in energy and its intensity is enhanced with increasing [Cd] = [N], (Cd, N) becomes a dominant emission for [Cd] = [N] = 1 x 10(20) cm(-3). The steep reduction of net hole carrier concentration observed for [Cd]/[N] less than or equal to 1 was ascribed to the formation of (Cd, N) which is presumed to be a novel radiative complex center between acceptor and isoelectronic atoms in GaAs.

An All-E-Beam Lithography Process for the Patterning of 2D Photonic Crystal Waveguide Devices

We present an all-e-beam lithography (EBL) process for the patterning of photonic crystal waveguides.The whole device structures are exposed in two steps. Holes constituting the photonic crystal lattice and defects are first exposed with a small exposure step size (less than 10nm). With the introduction of the additional proximity effect to compensate the original proximity effect, the shape, size, and position of the holes can be well controlled.The second step is the exposure of the access waveguides at a larger step size (about 30nm) to improve the scan speed of the EBL. The influence of write-field stitching error can be alleviated by replacing the original waveguides with tapered waveguides at the joint of adjacent write-fields. It is found experimentally that a higher exposure efficiency is achieved with a larger step size;however,a larger step size requires a higher dose.

Correlation between Er3+ emission and the microstructure of a-SiOx : H < Er > films

Photoluminescence (PL) from Er-implanted hydrogenated amorphous silicon suboxide (a-SiOX:H(x<2.0)) films was measured. Two luminescence bands with maxima at lambda congruent to 750 nm and lambda congruent to 1.54mum, ascribed to the a-SiOX:H intrinsic emission and Er3+ emission, were observed. Peak intensities of the two bands follow the same trend as a function of annealing temperature from 300 to 1000degreesC. Micro-Raman results indicate that the a-SiOX:H films are a mixture of two phases, an amorphous SiOX matrix and amorphous silicon (a-Si) domains embedded there in. FTIR spectra confirm that hydrogen effusion from a-SiOX:H films occurs during annealing. Hydrogen effusion leads to a reconstruction of the microstructure of a-Si domains, thus having a strong influence on Er3+ emission. Our study emphasizes the role of a-Si domains on Er3+ emission in a-SiOX:H films.

Global transposable characteristics in the complete DNA sequence of the yeast

Global transposable characteristics in the complete DNA sequence of the Saccharomyces cevevisiae yeast is determined by using the metric representation and recurrence plot methods. On the basis of the correlation distance of nucleotide strings, 16 chromosome sequences of the yeast, which are divided into 5 groups, display 4 kinds of the fundamental transposable characteristics: a short increasing period, a long increasing quasi-period, a long major value and hardly relevant.