六配位FeN6自旋翻转化合物的自旋输运特性

本文采用第一性原理计算和非平衡格林函数方法,研究了六配位FeN₆的自旋输运特性. 理论计算结果表明在外场(如光辐射)作用下通过改变配体与磁芯间键长来实现磁体的高低自旋之间的转换. 基于计算得到的透射谱和伏安曲线,发现通过高自旋态分子结的电流显著大于低自旋态磁体,且通过高自旋态分子结的输运特性由自旋向下的电子提供主要贡献. 理论预测出来的分子开关和自旋过滤效应表明此类铁基六配体自旋翻转化合物可用于分子自旋电子学器件设计.     

通过边缘修饰在非磁性石墨烯基单分子结中引入自旋的理论研究

在分子自旋电子学中,向非磁性的分子器件中注入自旋引起了广泛关注.在此提出一个新颖的策略,将磁性引入到与两个扶手椅形石墨烯纳米带电极耦合的单个苯分子器件中,即将这两个扶手椅形石墨烯纳米带电极的末端切割成锯齿形边缘的三角形石墨烯.利用第一性原理方法研究了分子结的自旋相关输运性质.结果表明,由于锯齿形边缘的三角形石墨烯向扶手椅形石墨烯纳米带电极和苯分子的自旋转移,导致锯齿形边缘三角形石墨烯的本征磁性减弱.有趣的是,虽然锯齿形边缘三角形石墨烯的本征磁性衰减了,但仍对分子结的自旋输运有显著的贡献.输运计算表明,在自旋平行构型下,可以获得较大的电流自旋极化率.然而,在自旋反平行构型下,电流的自旋极化率发生了反转.器件隧穿磁电阻的正负可以通过偏压来调控.这项工作提出了一个在新型分子自旋电子器件中设计和应用石墨烯纳米带的有趣方法.     

界面铁掺杂锯齿形石墨烯纳米带的自旋输运性能

基于密度泛函理论第一原理系统研究了界面铁掺杂锯齿(zigzag)形石墨烯纳米带的自旋输运性能, 首先考虑了宽度为4的锯齿(zigzag)形石墨烯纳米带, 构件了4个纳米器件模型, 对应于中心散射区的长度分别为N=4, 6, 8和10个石墨烯单胞的长度, 铁掺杂在中心区和电极的界面. 发现在铁磁(FM)态, 四个器件的β自旋的电流远大于α自旋的电流, 产生了自旋过滤现象; 而界面铁掺杂的反铁磁态模型, 两种电流自旋都很小, 无法产生自旋过滤现象; 进一步考虑电极的反自旋构型, 器件电流显示出明显的自旋过滤效应. 探讨了带宽分别为5和6的纳米器件的自旋输运性能, 中心散射区的长度为N=6个石墨烯单胞的长度, FM 态下器件两种自旋方向的电流值也存在较大的差异, β自旋的电流远大于α自旋电流. 这些结果表明: 界面铁掺杂能有效调控锯齿形石墨烯纳米带的自旋电子, 对于设计和发展高极化自旋过滤器件有重要意义.     

C72 富勒烯的电子结构与电子传导研究

本文利用基于密度高泛函理论(DFT)和非平衡格林函数的第一性原理方法对富勒烯C72分子及连接电极构成的C72分子器件进行了电子结构及电子输运性质的研究.计算出了电子透射谱和分子轨道分布,分析了器件的电子结构和输运性质的产生原因. 结果显示C72分子器件的电子传输主要集中在分子壳上. 伏安曲线显示C72分子具有半导体特征.     

半导体纳米材料和物理

半导体纳米材料是纳米材料的一个重要组成部分，纳米结构的电子和光子器件将成为下一代微电子和光电子器件的核心。文章介绍了半导体纳米材料研究的新进展，包括四个方面：半导体自组织生长量子点，纳米晶体，微腔光子晶体和纳米结构中的自旋电子学。本世纪开始的半导体纳米材料的研究是上世纪半导体超晶格量子阱研究的延续，同时又开辟了一些新的领域，如：单电子的电子学、单光子的光子学，微腔和光子晶体，稀磁半导体和自旋电子的相干输运等，这些研究将为研制在新原理基础上的新器件和实现量子计算、量子通信打下基础。     

量子点双链中电子自旋极化输运性质

利用非平衡格林函数方法, 研究了与单个量子点耦合的量子点双链中电子自旋极化输运性质. 由于系统中Rashba自旋轨道耦合产生的自旋相关的相位, 电子通过上下两种路径时, 自旋不同的电子干涉情况不同, 从而导致了电极中的自旋极化流. 左右两电极间的偏压使单个量子点中的自旋积聚在很大能量区域内能够保持较大的值. 由于系统结构的左右不对称, 正负偏压下自旋积聚情况完全不同. 这些计算结果将有助于实验上设计新型的自旋电子学器件.     

六配位FeN_6自旋翻转化合物的自旋输运特性（英文）

本文采用第一性原理计算和非平衡格林函数方法,研究了六配位FeN_6的自旋输运特性.理论计算结果表明在外场(如光辐射)作用下通过改变配体与磁芯间键长来实现磁体的高低自旋之间的转换.基于计算得到的透射谱和伏安曲线,发现通过高自旋态分子结的电流显著大于低自旋态磁体,且通过高自旋态分子结的输运特性由自旋向下的电子提供主要贡献.理论预测出来的分子开关和自旋过滤效应表明此类铁基六配体自旋翻转化合物可用于分子自旋电子学器件设计.     

C20分子的一个电子输运模型研究

本文构建了Li链为电极的富勒烯C20分子的电子输运模型, 使用非平衡格林函数方法(Non-equilibrium Green's function, NEGF)对构建的Li电极和C20分子构成的分子器件进行了电子输运性质的计算. 计算得出了电子透射谱和电流电压曲线, 分析了产生这个分子器件电子输运性质的原因. 研究计算结果发现,大部分能量的电子是不会穿过器件的, 即使考虑不同偏压,能穿过器件的电子都集中在几个固定的能量上, 且在这几个固定能量上透过率比较高. 计算得出的伏安曲线说明在偏压为1.925V时电流达到最大, 只有在这个偏压周围才有相对明显的电流.     

C50富勒烯分子的电子结构与传输特性研究

本文构建了Au原子面为电极的富勒烯C50分子的电子输运模型, 使用非平衡格林函数方法(Non-equilibrium Green's function, NEGF)对构建的Au电极和C50分子构成的分子器件进行了电子传输性质的计算. 通过计算得出了电子透射谱、电导曲线和电流电压曲线, 分析了产生这个分子器件电子输运性质的原因. 研究计算结果发现：C50分子具有量子器件的开关特性,并具有明显的半导体特征.     

二维NiBr2单层自旋电子输运以及光电性质

磁性半导体材料在自旋电子器件领域具有重要的应用前景.本文设计了一些基于磁性半导体NiBr₂单层的纳米器件结构,并采用密度泛函理论结合非平衡格林函数方法,研究了其自旋输运和光电性质.结果表明,在不同的输运方向(扶手椅形和锯齿形),NiBr₂单层PN结二极管表现出明显的整流效应及自旋过滤效应,这两种效应在其亚3 nm PIN结场效应晶体管中也同样存在.NiBr₂单层PIN结场效应晶体管的电子传输受到栅极电压的调控,电流随着栅极电压的增大受到抑制.另外,NiBr₂单层对蓝、绿光有较强的响应,其光电晶体管在两种可见光的照射下可以产生较强的光电流.本文研究结果揭示了NiBr₂单层的多功能特性,为镍基二卤化物在半导体自旋电子器件和光电器件领域的应用提供了重要参考.     

Thermoelectric properties of magnetic configurations of graphene-like nanoribbons in the presence of Rashba and spin–orbit interactions

In this paper we investigate the influence of spin–orbit interaction and two types of Rashba interaction (intrinsic and extrinsic) on magnetic and thermoelectric properties of graphene-like zigzag nanoribbons based on the honeycomb lattice. We utilize the Kane-Mele model with additional Rashba interaction terms. Magnetic structure is described by the electron-electron Coulomb repulsion reduced to the on-site interaction (Hubbard term) in the mean field approximation. We consider four types of magnetic configurations: ferromagnetic and antiferromagnetic with in-plane and out-of plane direction of magnetization. Firstly, we analyze the influence of extrinsic Rashba coupling on systems with negligible spin–orbit interaction, e.g. graphene of an appropriate substrate. Secondly, we discuss the interplay between spin–orbit and intrinsic Rashba interactions. This part is relevant to materials with significant spin–orbit coupling such as silicene and stanene.     

Characterizing a high spin magnetic impurity via Andreev reflection spectroscopy

The ground state properties of a high spin magnetic impurity and its interaction with an electronic spin are probed via Andreev reflection. We see that through the charge and spin conductance one can effectively estimate the interaction strength, the ground state spin and magnetic moment of any high spin magnetic impurity. We show how a high spin magnetic impurity at the junction between a normal metal and superconductor can contribute to superconducting spintronics applications. Particularly, while spin conductance is absent below the gap for Ferromagnet-Insulator-Superconductor junctions we show that in the case of a Normal metal-High spin magnetic impurity-Normal Metal-Insulator-Superconductor (NMNIS) junction it is present. Further, it is seen that pure spin conduction can exist without any accompanying charge conduction in the NMNIS junction.     

Single-Particle Coherence and Spin Squeezing in Four-Qubit Phase State

We investigate single-particle coherence and spin squeezing in four-qubit phase state governed by an one-axis twisting Hamiltonian. In particular, we are interesting in the dependence of single-particle coherence and spin squeezing on the nonlinear interaction. It is shown that single-particle coherence and spin squeezing parameter only depend on the nonlinear interaction and they are periodic function of nonlinear interaction.     

The exchange interaction effect in the scanning tunneling spectroscopy of a two-orbital Anderson impurity on metallic surface

We investigate the scanning tunneling spectroscopy (STS) of a two-orbital Anderson impurity adsorbed on a metallic surface by using the numerical renormalization group (NRG) method. The density of state of magnetic impurity and the local conduction electron are calculated. We obtain the Fano resonance line shape in the STM conductance at zero temperature. For the impurity atom with antiferromagnetic inter-orbital exchange interaction and a spin singlet ground state, we show that a dip in the STM spectra around zero bias voltage regime and side peaks of spin excitation can be observed. The spin excitation energy is proportional to the exchange interaction strength. As the exchange interaction is ferromagnetic, the underscreened Kondo effect dominates the low energy properties of this system, and it gives rise to drastically different STM spectra as compared with the spin singlet case.     

Magnetic structure factors Heisenberg model for magnetic ordered graphene like structure

We have theoretically studied the magnetic structure factors of Heisenberg model on honeycomb lattice in the presence of anisotropic Dzyaloshinskii–Moriya interaction and next nearest neighbor coupling exchange constant. A sublattice antiferromagnetic long range ordering has been considered for localized electrons on honeycomb lattice structure. In particular, the frequency dependence of both longitudinal and transverse dynamical spin susceptibilities has been investigated for various physical parameters in the model Hamiltonian. Using Holstein–Primakoff bosonic transformations, the behavior of magnetic susceptibilities properties has been studied by means of excitation spectrum of mapped bosonic gas. Furthermore we have studied the dependence of static spin susceptibilities on Dzyaloshinskii–Moriya interaction strength for various next nearest neighbor interaction strengths. We have found the dependence of static longitudinal spin structure factor on Dzyaloshinskii–Moriya interaction strength shows a divergence behavior at phase transition point for various next nearest neighbor exchange constants. Also our results show the position of peak in the dynamical transverse spin structure factor at fixed value for Dzyaloshinskii Moriya interaction moves to lower frequency with next nearest neighbor coupling constant.     

Nonlocal Andreev reflection with Rashba spin-orbital interaction in a triple-quantum-dot ring

We theoretically studied the nonlocal Andreev reflection with Rashba spin-orbital interaction in a triple-quantumdot(QD) ring,which is introduced as Rashba spin-orbital interaction to act locally on one component quantum dot.It is found that the electronic current and spin current are sensitive to the systematic parameters.The interdot spin-flip term does not play a leading role in causing electronic and spin currents.Otherwise the spin precessing term leads to shift of the peaks of the the spin-up and spin-down electronic currents in different directions and results in the spin current.Moreover,the spin-orbital interaction suppresses the nonlocal Andreev reflection,so we cannot obtain the pure spin current.     

Spin–orbit interaction induced current dip in a single quantum dot coupled to a spin

Experiments on semiconductor quantum dot systems have demonstrated the coupling between electron spins in quantum dots and spins localized in the neighboring area of the dots. Here we show that in a magnetic field the electrical current flowing through a single quantum dot tunnel-coupled to a spin displays a dip at the singlet–triplet anticrossing point which appears due to the spin–orbit interaction. We specify the requirements for which the current dip is formed and examine the properties of the dip for various system parameters, such as energy detuning, spin–orbit interaction strength, and coupling to leads. We suggest a parameter range in which the dip could be probed.     

Magnetically tuned spin dynamics resonance

We present the experimental observation of a magnetically tuned resonance phenomenon in the spin mixing dynamics of ultracold atomic gases. In particular, we study the magnetic field dependence of spin conversion in F=2 (87)Rb spinor condensates in the crossover from interaction dominated to quadratic Zeeman dominated dynamics. We discuss the observations in the framework of spin dynamics as well as matter wave four wave mixing. Furthermore, we show that the validity range of the single mode approximation for spin dynamics is significantly extended at high magnetic field.     

Dynamical and static spin conductivities in the Heisenberg model on honeycomb lattice: The effects of magnetic long range ordering

We have studied both dynamical and static spin conductivities of Heisenberg antiferromagnet on honeycomb lattice in the presence of a magnetic long range ordering. The effects of spatial anisotropy as weak Dzyaloshinskii–Moriya interaction and next nearest neighbor exchange coupling on the behaviors of conductivities are discussed. A sublattice antiferromagnetic long range ordering has been considered for localized electrons on honeycomb lattice structure. Using Holstein–Primakoff bosonic transformations, the behaviors of spin transport properties have been studied by means of excitation spectrum of mapped bosonic gas. We have found the temperature dependence of static spin conductivity in the field induced gapped spin-polarized phase for various Dzyaloshinskii–Moriya interaction strengths. Furthermore we have studied the frequency dependence of dynamical spin conductivity for various Dzyaloshinskii–Moriya interaction strengths and different next nearest neighbor coupling constants. We find that the height of peak in the temperature dependence of static spin conductivity increases upon increasing the anisotropy parameter. The static spin conductivity is found to be monotonically increasing with anisotropy parameter due to increase of the energy gap in the excitation spectrum. Furthermore we have studied the temperature dependence of the spin conductivity for different next nearest neighbor coupling constants.