标量算符本征值对g壳层LSQ耦合态的完全分类计算

按（Ｕ,Ｄ）Ｌ－ＬＳＱ格式构造ｌ壳层ＬＳＱ耦合态,这里Ｕ（Ｄ）是自旋向上（向下）电子的轨道角动量,Ｌ、Ｓ、Ｑ是总轨道角动量、总自旋和准旋。由４个产生－湮灭算符构造与轨道、自旋准旋算符均为易的标量算符并用基本征值对ＬＳＱ耦合态进上步分类,实现了对ｆ、ｇ壳层耦合态的完全分类,列出了ｇ壳层耦合态完全分类的主要结果。     

准旋-角动量标量算符本征值与费密子j-j耦合态的完全分类

用二次量子化和不可约张量方法,对j壳层引入对准旋-角动量为(1/2,j)阶不可约张量的产生-湮没算符b_(qm)~(1/27),由此耦合成准旋-角动量标量算符Y(x,k)=(bb)~(x,k)·(bb)~(x,k),并用其本征值对费密子j-j耦合态进行分类.计算表明:对j=9/2,11/2,13/2,当x十k≥3,Y(x,k)与准旋、角动量共同本征态能对耦合态完全分类.对多数(x,k)值,y(x,k)本身就能对耦合态完全分类.列出了对j=9/2耦合态完全分类的主要结果. 关键词：     

两体自旋轨道耦合力与f7/2壳层能谱

本文采用中心力加两体自旋轨道耦合力作为剩余相互作用,计算了 f_7/2壳层原子核的能谱.交换参数可调.径向波函数采用谐振子波函数.计算值和实验值的符合程度令人满意.因而表明在剩余相互作用中,两体自旋轨道相互作用的影响不可忽视.     

耦合磁性杂质理论

一、Kondo及 AG(Abrikosov Gorkov) 的孤立磁性杂质理论 在非磁性金属或合金中掺有少量(10-6—10-3)的带有局域磁矩的原子所构成的体系称为稀磁合金.其中的传导电子(S)和局域电子(d)之间有库仑作用.它的一部分交换作用称为sd交换作用,相应的哈密顿量是其中表示传导电子波矢为k、自旋为a的产生、消灭算符,表示局域电子在格点i上自旋为β的产生、消灭算符,Sβ’β及分别代表局域电子和传导电子的自旋算符的矩阵元,J为交换积分常数,N为格点数.这个哈密顿量的主要特点是当s电子和d电子散射时,可以发生自旋倒向,如图1所示.图中小圆表示s电子,…     

晶体场理论引论(六)

运用Wigner-Eckart定理可以把晶体场哈密顿算符表示为由角动量算符组成的等效算符,利用等效算符计算具有特定的J的耦合波函数之间的晶体场矩阵元特别方便,因为等效算符作用于耦合波函数的角度部份,不需要回到单电子波函数。     

关于两个电子的自旋函数的一种教学方案

本文介绍了将两个电子的自旋波函数从无耦合表象向耦合表象变换，求出总自旋波函数的教学方案．并用简单的算符代数运算，求出这一表象变换中所利用的全部Ｃ－Ｇ系数．此教学方案逻辑清楚、物理意义明确且十分简洁．     

Na原子d电子系列Rydberg态的精细结构计算

计算了Ｎa原子d电子系列Ｒｙｄｂｅｒｇ态的精细结构,获得与实验值相一致的结果。精细结构倒置的原因主要是介电子和原子实的交换作用,并发现原子实玫极化作用与有较大的贡献。计算过程中,在准相对论的框架下,用自旋极化模型,考虑了原子实与价电子的相互作用,采用自洽场方法,计算了原子实和价电子物径向波函数以及能量。原子;实采用自相互作用修正的Ｘα（ＳＩＣ－Ｘα）方法,价电子波函数考虑到了价电子的自旋－轨道耦合作     

等离子体屏蔽效应对Ar~(16+)基态和激发态能级的影响

基于Rayleigh-Ritz变分原理,发展了一套处理弱耦合等离子体环境中多电子原子(离子)非相对论能量及其相对论修正的解析方法.通过考虑电子间交换相互作用以及内外壳层电子的屏蔽效应,计算了Ar~(16+)基态1s~2~1S、单激发态1sns~(1,3)S (n=2—5), 1snp~(1,3)P (n=2—5)和双激发态2snp~1P (n=2—5)非相对论能量及其相对论修正值(包括质量修正、单体和双体达尔文修正以及自旋-自旋接触相互作用项),讨论了等离子体屏蔽效应对能级的影响.结果表明:相对论质量修正和第一类达尔文修正占主导,比其他相对论修正项高出三个数量级.此外,等离子体屏蔽效应具有明显的态选择性,屏蔽效应对外壳层电子的影响大于内壳层电子,随着等离子体屏蔽参数的增加,外壳层电子轨道向外延展,激发态越高,延展程度越大.     

非传统超导PuRhGa_5晶体结构和电子性质的第一性原理研究北大核心CSCD

本文基于第一性原理的局域自旋密度近似(LSDA:Local spin density approximation)及LSDA+U方法报道了Pu基超导体系PuRhGa_5的晶格参数,原子占位和电子性质.LSDA+U方法不仅考虑了Pu-5f电子而且考虑了Rh-4d电子的库伦排斥作用U和Hund交换相关作用J.计算结果表明,PuRhGa_5的铁磁性具有较低能量,且晶格参数和原子占位与相关理论和实验数据吻合较好.对比PuRhGa_5的顺磁性和铁磁性态密度,表明Pu-5f电子具有明显的自旋极化现象和强的自旋-轨道耦合效应.与此同时,Pu-5f电子在费米能级处陡降且具有强定域特点可能是导致PuRhGa_5具有较低临界转变温度Tc的重要原因.此外,费米能级两侧电子的定域特征及耦合关联效应可能是导致PuRhGa_5具有超导性的关键.     

非传统超导PuRhGa_5晶体结构和电子性质的第一性原理研究

本文基于第一性原理的局域自旋密度近似(LSDA:Local spin density approximation)及LSDA+U方法报道了Pu基超导体系PuRhGa_5的晶格参数,原子占位和电子性质.LSDA+U方法不仅考虑了Pu-5f电子而且考虑了Rh-4d电子的库伦排斥作用U和Hund交换相关作用J.计算结果表明,PuRhGa_5的铁磁性具有较低能量,且晶格参数和原子占位与相关理论和实验数据吻合较好.对比PuRhGa_5的顺磁性和铁磁性态密度,表明Pu-5f电子具有明显的自旋极化现象和强的自旋-轨道耦合效应.与此同时,Pu-5f电子在费米能级处陡降且具有强定域特点可能是导致PuRhGa_5具有较低临界转变温度Tc的重要原因.此外,费米能级两侧电子的定域特征及耦合关联效应可能是导致PuRhGa_5具有超导性的关键.     

超导体中库珀对的SU(2)与Glauber相干态——库珀对与约瑟夫森超流性的量子特性研究

本文利用类自旋算符证明BCS超导基态波函数是单个库珀对SU(2)相干态波函数的直积、且在一定条件下为库珀对体系的SU(2)相干态波函数。若两块处在BCS超导基态的超导体耦合在一起,则体系仍处在SU(2)相干态,且在一定条件下为定态超辐射态。在SU(2)群到谐振子群的收缩下,库珀对的SU(2)相干态变为Glauber相干态。讨论了两种情形下库珀对与约瑟夫森超流性的量子噪声、分布及二阶相关特性。     

Optical polarization of nuclei and ODNMR in GaAs/AlGaAs quantum wells

Optical orientation of electrons was used to polarize the crystal lattice nuclei in quantum-size heterostructures and to study the effect of the conduction band spin splitting on the spin states of quasi-two-dimensional (2D) electrons drifting in an external electric field. High (～1%) nuclear polarization was registered using polarized luminescence and ODNMR in single GaAs/AlGaAs quantum wells. Measurement was made of the hyperfine interaction fields created by polarized nuclei on electrons and by electrons on nuclei. The spin-lattice relaxation of nuclei on the non-degenerate 2D electron gas was calculated. A comparison of the theoretical and experimental longitudinal relaxation times permitted the conclusion that the localized charge carriers are responsible for nuclear polarization in quantum wells in the temperature range of 2–77 K. A new effect has been studied, i.e. induction of an effective magnetic field acting on 2D electron spins when electrons drift in an external electric field in the quantum well plane. This effective field B_eff is due to the spin splitting of the conduction band of 2D electrons. The paper discusses possible registration of an ODNMR signal when the field B_eff is modulated by an electric current during optical orientation.     

La1/8Ca7/8MnO3/Sr0.95Nb0.05TiO3异质结的整流特性和磁输运性质

在5%Nb掺杂的SrTiO3衬底上用磁控溅射法外延生长了La1/aCa7/aMnO3薄膜形成异质结,该异质结有类似于传统P-n结的整流特性.磁场下扩散电压减小,当温度低于130 K以下,扩散电压的减小非常明显.这和在此温度以下,La1/8Ca7/aMnO3出现自旋倾斜态密切相关.我们计算出异质结的结电阻和磁致电阻(MR),在不同大小的正负偏压,不同磁场下,都得到负的MR值.我们给出界面附近的La1/8Ca7/8MnO3的能带结构并分析了外加磁场对洪德耦合,Jahn-Teller畸变等机制的作用,来解释该异质结的磁输运行为.结果有助于了解高Ca掺杂锰氧化物异质结的性质.     

自旋轨道耦合系统中的自旋流与自旋霍尔效应

作为自旋电子学的重要研究内容,如何在固态系统中产生、操控以及探测自旋流引起了研究人员的广泛兴趣.基于自旋轨道耦合的自旋霍尔效应为在非磁性半导体中产生自旋流提供了一种有效途径.然而,在具有自旋轨道耦合的系统中,自旋流并不守恒.如何理解这点并恰当地表述相应的连续性方程,成为自旋输运研究的基本问题之一.本文主要综述自旋轨道耦合系统中自旋流与自旋霍尔效应方面的研究进展.引入SU(2)规范势后,自旋流满足协变形式的连续性方程,该方程保证了SU(2)Kubo公式在不同规范固定下的自洽性.利用SU(2)场强张量,可以直接得到自旋密度和自旋流在SU(2)外场中受到的白旋力,该力在只有U(1)磁场时对应于Stern-Gerlach力.由于依赖杂质散射的外在自旋霍尔效应很难被利用,内在自旋霍尔效应的概念被提出:在非磁半导体中,U(1)电场会诱导出自旋流并导致系统边缘处的自旋积累.自旋霍尔效应已经在半导体和金属材料中被观察到.虽然在干净的二维电子气中自旋霍尔电导率是一普适常数e/8π,但杂质对它的影响却引起了人们的高度关注.通过引入退相干效应,自旋霍尔效应中杂质效应的一些令人困惑的理论结果,则得到清晰的解释.此外,本文还将介绍具有层间隧穿的双层二维电子气中的自旋输运现象.在能量简并点附近,自旋霍尔电导率和隧穿白旋电导率均会出现共振现象.当两层间的杂质势强度存在差异时,隧穿自旋电导率随门压的变化曲线呈现出非对称性,显示出自旋二极管效应.     

Two-Qubit Operation on Majorana Qubits in Ordinary-Qubit Chains

Majorana zero modes can be simulated in structures based on spin or quasi-spin degrees of freedom, e.g., Josephson-qubit chains. Braiding of Majorana degrees of freedom is realized using T-junctions supplied with an auxiliary spin (ancilla). Motivated by prospective experiments, we analyze the braiding in the spin representation, which provides the basis for the analysis of imperfections characteristic to the spin and qubit designs. The result of the braiding operation is straightforwardly found for the initial basis states of the two qubits and the ancilla, up to phase factors. Here, we fix these phase factors and thus describe the complete two-qubit operation. This result is relevant for physical simulation of the Majorana qubits in Josephson-qubit chains and other spin or qubit structures.

     

&mgr;(+) knight shift measurements in U0.965Th0.035Be13 single crystals

Muon spin rotation ( &mgr;SR) measurements of the temperature dependence of the &mgr;(+) Knight shift in single crystals of U0. 965Th0.035Be13 have been used to study the static spin susceptibility chi(s) below the transition temperatures T(c1) and T(c2). While an abrupt reduction of chi(s) with decreasing temperature is observed below T(c1), chi(s) does not change below T(c2) and remains at a value below the normal-state susceptibility chi(n). In the normal state we find an anomalous anisotropic temperature dependence of the transferred hyperfine coupling between the &mgr;(+) spin and the U 5f electrons.     

Spin-dependent localization of electrons in low-dimensional systems

Possibilities of spatial localization of spin-polarized electrons due to spin–orbit interaction are investigated theoretically. Situations most interesting for us are the ones where electrons of one spin state (helicity) are localized while the opposite helicity relates to extended wave functions. On examples of simplest short range potentials it is shown that such spin separation is, in principle, possible. Magnetic properties of electrons bound to a shallow 2D axially symmetric well are considered. Accounting for the spin–orbit contribution results in an anomalously large effective g-factor of this system.     

Quasi spin pairing and the structure of the Lipkin Model

By introducing the concepts of quasi-spin pairing and quasi-spin seniority, the Lipkin model is extended to a variable number of particles. The properties of quasi-spin pairing are seen to be quite similar to those of ordinary pairing. The quasi-spin seniority allows one to obtain a simple classification of excited multiplets. A “pairing plus monopole” model is studied in connection with the Hartree-Fock theory.     

An effective quantum parameter for strongly correlated metallic ferromagnets

The correlated motion of electrons in metallic ferromagnets is investigated in terms of a realistic interacting-electron model with N-fold orbital degeneracy and intra-orbital (U) and inter-orbital (J) Coulomb interactions. Correlation-induced self-energy and vertex corrections are incorporated systematically to provide a non-perturbative Goldstone-mode-preserving scheme. An effective quantum parameter [U2+(N-1)J2]/[U+(N-1)J]2 is obtained which determines, in analogy with 1/S for quantum spin systems and 1/N for the N-orbital Hubbard model, the strength of correlation-induced quantum corrections to magnetic excitations. The rapid suppression of this quantum parameter with Hund's coupling J, especially for large N, provides fundamental insight into the phenomenon of strong stabilization of metallic ferromagnetism by orbital degeneracy and Hund's coupling. Correlation effects are investigated for spin stiffness, magnon dispersion, electronic spectral function, density of states, and finite-temperature spin dynamics using realistic bandwidth, interaction, and lattice parameters for iron.