描述高自旋体系的密度算符方法

提出了一种描述高自旋弱偶合体系NMR实验谱的密度算符方法,给出了高自旋体系密度算符在自旋偶合作用下的演化公式。以氘核(²D)为例,计算了重聚INEPT和同核COSY实验谱。     

描述自旋体系密度算符演化的新方法

提出一种描述自旋体系密度算符演化的新方法,可统一处理核磁共振波谱学中强、弱偶合自旋体系及弱射频场存在下密度算符的演化。具体分析一些核磁共振实验:自旋轻扰、自旋锁定、偶极耦合作用、强耦合AB和ABX自旋体系的演化。     

强偶合AB体系NMR实验的密度算符演化描述

提出一种描述自旋为1/2的强偶AB自旋体系多脉冲NMR实验的密度算符演化的方法,推导了自旋算符的自由演化公式,具体描述了极化转移INEPT实验和二维DQ-INADEQUATE实验。该方法物理意义直观,计算量较小。     

当能级间隔较小时三能级核四极共振自旋系统对脉冲的响应

用虚拟自旋-1/2算符理论考察了I=1的核四极共振自旋系统在其能级间隔较小时对1-2个脉冲的响应.由于核四极相互作用表象中的射频场与核自旋的相互作用(H_rf)包含时间,因而用Dyson时序算符来计算密度算符在H_rf作用下的演化.     

描述高自旋弱耦合系统的广义积算符

本文提出了Z算符与角动量积算符相结合的广义积算符,用于描述高自旋弱耦合系统NMR实验谱。给出了高自旋系统在自旋耦合作用下的演变公式,Z算符在脉冲作用下的变化公式。以氘(D)为例,计算了重聚INEPT,DEPT和同核COSY实验谱,并对计算方法作了讨论。     

液体多脉冲及二维FT-NMR实验的乘积算符描述的计算机模拟

本文报道了利用乘积算符方法分析多脉冲及二维FT-NMR实验的模拟程序PROPER-MT.该程序对分析弱耦合I_mS_n(I=1/2;S=(1)/2;1 ≤ m十n<4)自旋体系实验脉冲序列是普遍适用的;它可给出实验过程中体系任何时刻算符的解析表达式.用PROPER-MT程序对一些典型的多脉冲及二维FT-NMR实验进行了模拟,特别对多量子滤波及多自旋滤波脉冲序列进行了分析计算,得到了预期的结果.     

CDn体系DEPT谱线的理论研究

本文根据算符函数的幂级数展开,给出了描述高自旋弱耦合体系的积算符理论,并用来描述I_n S((1)/2)体系(其中I=1/2,1,…)的DEPT实验.给出I(1)_n S((1)/2)体系(例如CD_n)DEPT谱线的增益系数的普遍公式,并提出了用作图法得出谱线结构的方法.     

自旋置换对称体系多脉冲及二维核磁共振实验的密度算符描述(Ⅱ)——多量子积算符方法

在对称化乘积算符(简称SAPO)方法基础上提出了多量子积算符(简称MQCPO)方法。改进的密度算符理论对I_nS(I=1/2,S=1/2;n为任意正整数)自旋体系多脉冲及二维核磁共振实验的描述普遍适用。MQCPO与SAPO从不同角度反映了自旋体系的对称性,故它们之间存在简单线性关系。文中给出I_n(I=1/2,n=2,3)自旋体系MQCPO的SAPO表示。MQCPO有利于自由演化过程的描述,而脉冲作用的描述则是SAPO为佳;利用MQCPO与SAPO的线性关系及SAPO笛卡儿分量的坐标轮换性质,“z”表象下脉冲作用的描述变得简单而直观。对异核谱剪辑及自旋拓扑滤波(spin topology filtration)等实验脉冲序列的分析,该方法是方便的。 关键词：     

粉末样品中半整数四极核中心线的自旋锁定现象

本文研究了半整数四极体系中心跃迁的自旋锁定,认为占据|-1/2>与|1/2>态的粒子可构成一个孤立的子体系,用密度算符理论证明了旋转坐标系自旋温度理论在这子体系中仍适用。在实验上用NaNO₂和NaOH粉末样品验证了上述结论。     

耗散腔中两二能级原子态的自旋压缩量子Fisher信息和最大自旋涨落

在能量耗散腔中,原子用泡利算符描述,光场用相干态描述,运用密度矩阵理论,得到了两二能级原子密度矩阵元的演化规律,分析了与单模辐射场作用过程中原子态的自旋压缩、量子Fisher信息和最大自旋涨落.结果表明:自旋压缩,大于1/2的最大自旋涨落可以作为量子纠缠的充分必要判据.自旋压缩,大于1/2的最大自旋涨落和量子纠缠,它们互相等价.大于1的Fisher信息与它们之间没有等价关系,但可以作为自旋压缩和量子纠缠的充分判据.     

Dependence on dilution of critical and compensation temperatures of a two-dimensional mixed spin-1/2 and spin-1 system

In this study, dependence on site dilution of critical and compensation temperatures of a two-dimensional mixed spin-1/2 and spin-1 system has been investigated with Monte Carlo simulation. The dependence of the thermal and magnetic behaviors on dilution of mixed spin system has been discussed. We have shown that the critical and compensation temperatures of diluted mixed spin system linearly decrease with increasing number of diluted sites.     

Decoherence induced in spin-1/2 particles by spin chain environments at finite temperature

The decoherence process of a central spin-1/2 particle coupling to the surrounding anisotropy spin-1/2 chain in a transverse field at finite temperature is studied in this Letter. We study the Loschmidt echo(LE) of the central spin when the surrounding spin chain is in the thermal equilibrium state. Our results show that the critical enhanced decay of LE at zero temperature becomes indistinct with the temperature increasing and will be completely washed out when the temperature is high enough.     

Quantum probability model for spin

We present a realistic model in which spin measurements are represented by functions. By employing a simple amplitude density, we derive the usual spin distributions for the spin-1/2 case. Higher order spin measurements are represented by sums of spin-1/2 measurements. We treat the spin-1 and spin-3/2 cases explicitly and show that the model applies to spins of any order.     

Phase diagram of frustrated mixed-spin ladders in the strong-coupling limit

We study the ground-state properties of frustrated Heisenberg ferrimagnetic ladders with antiferromagnetic exchange interactions and two types of alternating sublattice spins. In the limit of strong rung couplings, we show that the mixed spin-1/2 and spin-1 ladders can be systematically mapped onto a spin-1/2 Heisenberg model with additional next-nearest-neighbor exchanges. The system is either in a ferrimagnetic state or in a critical spin-liquid state depending on the competition between the spin exchanges along the legs and the diagonal exchanges.     

Mixed spin transverse Ising model with longitudinal random crystal field interactions

The effect of a longitudinal random crystal field interaction on the phase diagrams of the mixed spin transverse Ising model consisting of spin-1/2 and spin-1 is investigated within the finite cluster approximation based on a single-site cluster theory. In order to expand a cluster identity of spin-1, we transform the spin-1 to spin-1/2 representation containing Pauli operators. We derive the state equations applicable to structures with arbitrary coordination number N. The phase diagrams obtained in the case of a honeycomb lattice (N=3) and a simple-cubic lattice (N=6), are qualitatively different and examined in detail. We find that both systems exhibit a variety of interesting features resulting from the fluctuation of the crystal field interactions. Received: 13 February 1998 / Accepted: 17 March 1998     

一维亚铁磁混合自旋链的磁特性的Monte Carlo模拟

基于一维自旋链模型，采用Monte Carlo方法对具有反铁磁相互作用的自旋一I和自旋-3／2交替混合的亚铁磁系统进行模拟计算，研究单离子各向异性对系统磁特性的影响．模拟结果发现：基态时系统的磁化强度在外加磁场作用下呈现出阶梯状，并获得了自旋-1和自旋-3／2交替混合的亚铁磁系统相图．最后，通过对系统能量和自旋组态的研究，解释了该系统中出现的阶梯效应和相图．     

Fermionic Magnons, non-Abelian spinons, and the spin quantum Hall effect from an exactly solvable spin-1/2 Kitaev model with SU(2) symmetry

We introduce an exactly solvable SU(2)-invariant spin-1/2 model with exotic spin excitations. With time reversal symmetry (TRS), the ground state is a spin liquid with gapless or gapped spin-1 but fermionic excitations. When TRS is broken, the resulting spin liquid exhibits deconfined vortex excitations which carry spin-1/2 and obey non-Abelian statistics. We show that this SU(2) invariant non-Abelian spin liquid exhibits the spin quantum Hall effect with quantized spin Hall conductivity σ(xy)(s)=?/2π, and that the spin response is effectively described by the SO(3) level-1 Chern-Simons theory at low energy. We further propose that a SU(2) level-2 Chern-Simons theory is the effective field theory describing the topological structure of the non-Abelian SU(2) invariant spin liquid.     

The quadrupole mechanism of hole spin relaxation

For spin-3/2 holes the anisotropic part of the instantaneous Luttinger Hamiltonian can be represented as an effective quadrupole coupling. We investigate the hole spin relaxation process induced by nonadiabatic fluctuations of this interaction. The obtained analytical solution of the stochastic Liouville equation describes the polarization decay of spin-3/2 holes in all regimes of momentum scattering: from collision-dominated to ballistic. Our results create the basis for quantitative interpretation of recent experiments and elucidate the striking difference between the hole spin relaxation process in bulk crystals and 2D semiconductor nanostructures.     

固体中半整数四极核的自旋扩散

首先介绍固态中自旋扩散的一般理论，包括半经典描述和建立在投影算子理论上的密度矩阵描述. 接着以丰核环境中相互偶合的自旋-1/2系统以及自旋-3/2系统为典型列举了自旋扩散速率的计算. 最近藉助多量子魔角旋转(MQMAS)方法实现半整数四极核的多量子谱自旋扩散实验，可以测量固体粉末中半整数四极核体系四极张量相对方向. 结合作者最近的计算机模拟和实验测量结果对这一新兴方向作了重点介绍，尤其指出了射频
脉冲强度、宽度及样品旋转速度对交叉峰线型的影响.     

Ground-state magnetic properties of the spin-2 transverse Ising model

The ground-state magnetic properties of the spin-2 transverse Ising model with a longitudinal crystal field are studied within the framework of mean-field theory (MFT) and effective-field theory (EFT), respectively. The phase diagrams and magnetization curves are examined in detail. It is found that the system exhibits a tricritical behavior in the ground-state phase diagrams. Some interesting phenomena have been found, especially the first-order phase transition from one ordered phase to the other ordered phase, which is due to the high spin. The spin correlation has important effect on the magnetic properties of the system. We also find that the ground-state phase diagrams of the spin-2 transverse Ising model are very different from those of the spin-3/2 transverse Ising model.