Al0.6Ga0.4N/GaN/Al0.3Ga0.7N/Al0.6Ga0.4N量子阱中的Rashba自旋劈裂

正如人们所知, 可以通过电场或者设计非对称的半导体异质结构来调控体系的结构反演不对称性(SIA)和Rashba自旋劈裂. 本文研究了Al_0.6Ga_0.4N/GaN/Al_0.3Ga_0.7N/Al_0.6Ga_0.4N量子阱中第一子带的Rashba 系数和Rashba自旋劈裂随Al_0.3Ga_0.7N插入层(右阱)的厚度w_s以及外加电场的变化关系, 其中GaN层(左阱)的厚度为40-w_s Å. 发现随着w_s的增加, 第一子带的Rashba系数和Rashba自旋劈裂首先增加, 然后在w_s>20 Å 时它们迅速减小, 但是w_s>30 Å时Rashba自旋劈裂减小得更快, 因为此时k_f也迅速减小. 阱层对Rashba系数的贡献最大, 界面的贡献次之且随w_s变化不是太明显, 垒层的贡献相对比较小. 然后, 我们假w_s=20 Å, 发现外加电场可以很大程度上调制该体系的Rashba系数和Rashba自旋劈裂, 当外加电场的方向同极化电场方向相同(相反)时, 它们随着外加电场的增加而增加(减小). 当外加电场从-1.5×10⁸ V·m^-1到1.5×10⁸ V· m^-1变化时, Rashba系数随着外加电场的改变而近似线性变化, Rashba自旋劈裂先增加得很快, 然后近似线性增加, 最后缓慢增加. 研究结果表明可以通过改变GaN层和Al_0.3Ga_0.7N层的相对厚度以及外加电场来调节Al_0.6Ga_0.4N/GaN/Al_0.3Ga_0.7N/Al_0.6Ga_0.4N量子阱中的Rashba 系数和Rashba自旋劈裂, 这对于设计自旋电子学器件有些启示.     

外加电场和Al组分对纤锌矿AlGaN/GaN量子阱中的电子g因子的影响

研究了外加电场和垒层的Al组分对AlGaN/GaN量子阱中的横向和纵向g因子(g⊥和g//)及其各向异性(δg)的影响.纤锌矿体结构的贡献(S_//~(bulk)和g⊥)是构成g⊥=(g//-g_0)=g_//~(bulk)的主要部分,但g_//~(bulk)和g⊥的差值很小且几乎不随外加电场和Al组分改变.当外加电场的方向同极化电场的方向相同(相反)且增加时,g_//~(bulk)和g_⊥~(bulk)的强度同时增加(减小).当外加电场从-1.5×10~8 V·m~(-1)到1.5×10~8 V·m~(-1)变化时,异质结界面对g⊥的贡献(Γ_(Inter))大于0且强度缓慢增加,阱层对g⊥的贡献(Γ_W)小于0且强度也缓慢增加.然而Γ_(Inter)的强度比Γ_w大,且后者的强度随着外加电场的改变增加较快,所以δg0且强度随着外加电场的变化而减小.当垒层的Al组分增加时,如果不考虑应变效应(S_(1,2)=0),g_//~(bulk)和g⊥的强度同时减小,然而考虑应变效应后(S_(1,2)≠0),β_1g⊥和γ1(g_//~(bulk))的强度随着Al组分的增加而增加.随着垒层Al组分的增加,Γ_(Inter)和Γ_w的强度都增加,但Γ_(Inter)的强度较大且增加得较快,所以的的强度缓慢增加.g⊥的强度先随着Al组分的增加而减小,然后又随着Al组分的增加而增加,因为g⊥小于0且强度随着Al组分增加得很快.结果表明,AlGaN/GaN量子阱结构中的电子g因子及其各向异性可以被外加电场、垒层的Al组分、应变效应和量子限制效应共同调制.     

Rashba自旋-轨道相互作用影响下量子盘中强耦合磁极化子性质的研究

本文基于Lee-Low-Pines幺正变换法,采用Tokuda改进的线性组合算符法研究了Rashba自旋-轨道相互作用效应下量子盘中强耦合磁极化子的性质.结果表明,磁极化子的相互作用能Eint的取值随量子盘横向受限强度ω0、外磁场的回旋频率ωc、电子-LO声子耦合强度α和量子盘厚度L的变化均与磁极化子的状态性质密切相关;磁极化子的平均声子数N随ωc,ω0和α的增加而增大,随L的增加而振荡减小;在Rashba自旋-轨道相互作用效应影响下磁极化子的有效质量将劈裂为m*+,m*-两种,它们随ωc,ω0和α的增加而增大,随L的增加而振荡减小;在研究量子盘中磁极化子问题时,电子-LO声子耦合和Rashba自旋-轨道相互作用效应的影响不可忽略,但Rashba自旋-轨道相互作用和极化子效应对磁极化子的影响只有在电子运动的速率较慢时显著.     

MRCI+Q study of the low-lying electronic states of CdF including spin-orbit coupling

Cd F molecule, which plays an important role in a great variety of research fields, has long been subject to numerous researchers. Due to the unstable nature and heavy atom Cd containing in the Cd F molecule, electronic states of the molecule have not been well studied. In this paper, high accurate ab initio calculations on the Cd F molecule have been performed at the multi-reference configuration interaction level including Davidson correction(MRCI + Q). Adiabatic potential energy curves(PECs) of the 14 low-lying Λ–S states correlating with the two lowest dissociation limits Cd(~1S_g) + F(~2P_u) and Cd(~3P_u) + F(~2P_u) have been constructed. For the bound Λ–S and ? states, the dominant electronic configurations and spectroscopic constants are obtained,and the calculated spectroscopic constants of bound states are consistent with previous experimental results. The dipole moments(DMs) of 2 Σ+ and 2Π are determined, and the spin–orbit(SO) matrix elements between each pair of X2Σ+, 22Σ+, 12Π, and 22Π are obtained. The results indicate that the sudden changes of DMs and SO matrix elements arise from the variation of the electronic configurations around the avoided crossing region. Moreover,the Franck–Condon factors(FCFs), the transition dipole moments(TDMs), and radiative lifetimes of low-lying states-the ground state X2Σ+are determined. Finally, the transitional properties of 22Π–X2Σ+and 22Σ+–X2Σ+are studied. Based on our computed spectroscopic information of Cd F, the feasibility and challenge for laser cooling of Cd F molecule are discussed.     

LiCl~–阴离子的光谱性质和跃迁性质

采用多参考组态相互作用方法结合全电子基组计算了LiCl~-阴离子5个电子态(X~2Σ~+,A~2Π,B~2Σ~+,3~2Σ~+,2~2Π)的电子结构.为了得到精确的光谱常数,计算中考虑了Davidson修正、芯-价电子关联效应和自旋-轨道稱合效应.拟合得到各电子态的光谱常数、分子常数、自发辐射速率和自发辐射寿命.基态的光谱常数与实验值和其他理论值符合较好,同时报道了LiCl~-阴离子激发态的光谱常数以及其到基态的跃迁性质.计算结果表明A~2Π?X~2Σ~+跃迁具有高对角分布的弗兰克-康登因子f₀₀,第一激发态A~2Π有较短的自发辐射寿命.构造A~2Π(v’)? X~2Σ~+(v")准循环跃迁进行激光冷却LiCl~-阴离子需要一束主激光和两束抽运激光.以上结果预测了激光冷却LiCl~-阴离子是可行的.     

一氟化碳电子态的光谱性质和预解离机理的理论研究

采用考虑Davidson修正的内收缩多参考组态相互作用(icMRCI+Q)方法结合相关一致基组aug-cc-pV5Z和aug-cc-pV6Z首次计算了一氟化碳(CF)11个Λ-S 态(X²Π , a⁴Σ^-, A²Σ⁺, B²Δ, 1⁴Π, 1²Σ^-, 2⁴Π, 1^{4}Δ , 1⁴Σ⁺, 2²Σ^-和2⁴Σ^-) 所产生的25个Ω 态的势能曲线. 计算中考虑了旋轨耦合效应、核价相关和标量相对论修正以及将参考能和相关能分别外推至完全基组极限. 基于得到的势能曲线, 获得了束缚和准束缚的Λ-S态和Ω 态的光谱常数, 与已有的实验结果非常符合. 分析了束缚和准束缚的Λ-S态在各自平衡核间距R_e处的主要电子组态. 由于1⁴Π 和2⁴Π态的避免交叉, 发现准束缚态2⁴Π. 由Λ-S态势能曲线的交叉现象, 借助于计算的旋轨耦合矩阵元, 分析了a⁴Σ^-和B²Δ 态的预解离机理. 计算了25个Ω 态的离解关系, 给出了它们的离解极限. 最后研究了A²Σ⁺-X²Π 跃迁特性, 本文计算得到的A²Σ⁺-X²Π跃迁的Frank-Condon 因子和辐射寿命与已有实验值也符合得非常好.     

Giant Rashba-like spin-orbit splitting with distinct spin texture in two-dimensional heterostructures

Based on first-principles density functional theory calculation, we discover a novel form of spin-orbit (SO) splitting in two-dimensional (2D) heterostructures composed of a single Bi(111) bilayer stacking with a 2D semiconducting In₂Se₂ or a 2D ferroelectric α-In₂Se₃ layer. Such SO splitting has a Rashba-like but distinct spin texture in the valence band around the maximum, where the chirality of the spin texture reverses within the upper spin-split branch, in contrast to the conventional Rashba systems where the upper branch and lower branch have opposite chirality solely in the region below the band crossing point. The ferroelectric nature of α-In₂Se₃ further enables the tuning of the spin texture upon the reversal of the electric polarization with the application of an external electric field. Detailed analysis based on a tight-binding model reveals that such SO splitting texture results from the interplay of complex orbital characters and substrate interaction. This finding enriches the diversity of SO splitting systems and is also expected to promise for spintronic applications.     

AlGaN/GaN量子阱中子带的Rashba自旋劈裂和子带间自旋轨道耦合作用研究

首先把本征值方程投影到导带的子空间中, 进而得到AlGaN/GaN量子阱中第一、二子带的Rashba自旋劈裂系数(α ₁, α ₂)和子带间自旋-轨道耦合系数η₁₂. 然后自恰求解薛定谔方程和泊松方程计算了不同栅压的量子阱中的α ₁, α ₂和η₁₂, 并分别讨论了量子阱阱层、左右异质结界面和垒层对它们的贡献. 结果表明可以通过栅压来调节自旋-轨道耦合系数, 子带间自旋轨道耦合系数η₁₂比Rashba自旋劈裂系数α ₁, α ₂小, 但基本在同一数量级.     

铁磁/半导体(绝缘体)/铁磁异质结中渡越时间与两铁磁层磁矩夹角变化的关系

在群速度概念的基础上, 研究了自旋极化电子隧穿通过铁磁体/半导体(绝缘体)/铁磁体异质结时, 渡越时间随两端铁磁层中磁矩夹角变化的关系. 研究结果表明: 当中间层为半导体层时, 由于半导体层中的Rashba自旋轨道耦合强度的影响, 自旋向上电子和自旋向下电子的渡越时间差会在两铁磁层相对磁矩夹角为π/2和3π/2附近出现一个极小值. 当中间层为绝缘体层时, 势垒高度的变化会导致不同取向的自旋极化电子渡越时间差的变化, 并当势垒高度超过一临界值时发生翻转. 关键词： 铁磁体/半导体(绝缘体)/铁磁体异质结 Rashba自旋轨道耦合强度 渡越时间 磁矩     

Gate tunable Rashba spin-orbit coupling at CaZrO3/SrTiO3 heterointerface

High mobility quasi two-dimensional electron gas (2DEG) found at the CaZrO₃/SrTiO₃ nonpolar heterointerface is attractive and provides a platform for the development of functional devices and nanoelectronics. Here we report that the carrier density and mobility at low temperature can be tuned by gate voltage at the CaZrO₃/SrTiO₃ interface. Furthermore, the magnitude of Rashba spin-orbit interaction can be modulated and increases with the gate voltage. Remarkably, the diffusion constant and the spin-orbit relaxation time can be strongly tuned by gate voltage. The diffusion constant increases by a factor of ～ 19.98 and the relaxation time is reduced by a factor of over three orders of magnitude while the gate voltage is swept from -50 V to 100 V. These findings not only lay a foundation for further understanding the underlying mechanism of Rashba spin-orbit coupling, but also have great significance in developing various oxide functional devices.     

AlH~+离子5个Λ-S态和10个?态的光谱性质以及激光冷却的理论研究

利用考虑Davidson修正的内收缩多参考组态相互作用(icMRCI+Q)方法结合相关一致基组aug-ccpV6Z计算了AlH~+离子前两个离解极限对应的5个Λ-S态和10个?态的势能曲线.为了提高势能曲线的可靠性和精确性,计算中考虑了自旋轨道耦合效应、芯电子价电子相关和标量相对论修正以及将势能外推至完全基组极限.基于得到的势能曲线,获得了束缚和准束缚的4个Λ-S态和8个?态的光谱常数和振动能级,与已有的实验结果符合.计算了2(1/2)→X~2Σ_(1/2)~+和A~2Π_(3/2)→X~2Σ_(1/2)~+跃迁的跃迁偶极距.利用计算的精确的势能曲线和跃迁偶极矩,获得了2(1/2)~(第一势阱)(υ′=0, 1)→X~2Σ_(1/2)~+(υ′′)和A~2Π_(3/2)(υ′=0, 1)→X~2Σ_(1/2)~+(υ′′)跃迁的高度对角化分布的Franck-Condon因子(f_(00)和f_(11))和大的振动分支比;预测了2(1/2)~(第一势阱)(υ′=0, 1)和A~2Π_(3/2)(υ′=0, 1)态短的自发辐射寿命和窄的辐射宽度,这适合于AlH~+离子的快速激光致冷.所需的3束激光冷却波长都在紫外区域.这些结果表明了激光冷却AlH~+离子的可行性.此外,评估了自旋轨道耦合效应对光谱常数、振动能级和激光冷却AlH~+离子的影响.     

多层结构双自旋过滤隧道结中的电子输运特性

在转移矩阵方法及Mireles和Kirczenow的量子相干输运理论的基础上,研究了正常金属层/磁性半导体层/非磁绝缘层/磁性半导体层/正常金属层型双自旋过滤隧道结中Rashba自旋轨道耦合效应和自旋过滤效应对自旋相关输运的影响.讨论了隧穿磁电阻（TMR）、隧穿电导与各材料层厚度、Rashba自旋轨道耦合强度以及两磁性半导体中磁矩的相对夹角θ之间的关系.研究表明：含磁性半导体层的双自旋过滤隧道结由于磁性半导体层的自旋过滤效应和Rashba自旋轨道耦合作用可获得极大的TMR值.另外TMR和隧穿电导随着Rashba自旋轨道耦合强度的变化而振荡,振荡周期随Rashba自旋轨道耦合强度的增大逐渐减小. 关键词： 双自旋过滤隧道结 Rashba自旋轨道耦合 隧穿磁电阻 隧穿电导     

Spin-Tunneling Time in Ferromagnetic/Semiconductor/Ferromagnetic Three-Terminal Heterojunction in the Presence of Rashba Spin-Orbit Coupling

We study theoretically the transmission coefficients and the spin-tunneling time in ferromagnetic/semiconductor/ferromagnetic three-terminal heterojunction in the presence of Rashba spin-orbit interaction, in which onedimensional quantum waveguide theory is developed and applied. Based on the group velocity concept and the particle current conservation principle, we calculate the spin-tunneling time as the function of the intensity of Rashba spinrblt coupling and the length of the semiconductor. We find that as the length of the semiconductor increases, the spintunneling time does not increase linearly but shows behavior of slight oscillation, i;brthermore, with the increasing of the soin-orbit coupling, the spin-tunneling time increases.     

Spin Accumulation in a Rashba Nanoribbon

We investigate theoretically the spin accumulation in a Rashba spin-orbit coupling (SOC) nanoribbon nonadiabatically connected to a normal conductor. Both the nanoribbon and conductor are described by a hard-wall confining potential. Using thescattering matrix approach within the effective free-electron approximation, we have calculated the out-of-plane spin accumulation in the nanoribbon. It is found that the spin accumulation shifts toward the two edges of nanoribbon with the increasing of propagation modes. Specifically, as the Rashba SOC strength increases the spin accumulation in the nanoribbon will be enhanced and this result may suggest us a simple method to control the spin accumulation of the system by Rashba SOC strength.     

Spin-Tunneling Time in Ferromagnetic/Semiconductor/Ferromagnetic Three-Terminal Heterojunction in the Presence of Rashba Spin-Orbit Coupling

We study theoretically the transmission coefficients and the spin-tunneling time in ferromagnetic/semiconductor/ferromagnetic three-terminal heterojunction in the presence of Rashba spin-orbit interaction, in which onedimensional quantum waveguide theory is developed and applied. Based on the group velocity concept and the particle current conservation principle, we calculate the spin-tunneling time as the function of the intensity of Rashba spin-orbit coupling and the length of the semiconductor. We find that as the length of the semiconductor increases, the spintunneling time does not increase linearly but shows behavior of slight oscillation. Furthermore, with the increasing of the spin-orbit coupling, the spin-tunneling time increases.     

对称抛物势阱磁性隧道结中的自旋输运及磁电阻效应

研究了两端具有铁磁接触的对称抛物势阱磁性隧道结(F/SPW/F)中自旋相关的隧穿概率和隧穿磁电阻,讨论了量子尺寸效应和Rashba 自旋轨道耦合作用对自旋极化输运特性的影响.研究结果表明:隧穿概率和隧穿磁电阻随抛物势阱宽度的增加发生周期性的振荡.抛物势阱深度的增加减小了隧穿概率和隧穿磁电阻的振荡频率.Rashba 自旋轨道耦合强度的增加加大了隧穿概率和隧穿磁电阻的振荡频率.隧穿概率和隧穿磁电阻的振幅和峰谷比强烈依赖于两铁磁电极中磁化方向的夹角. 关键词： 磁性隧道结 Rashba 自旋轨道耦合 隧穿概率 隧穿磁电阻     

自旋-轨道耦合作用下双组分量子气体中的动力学结构因子与求和规则

在自旋-轨道耦合作用下,双组分量子气体中密度涨落和自旋涨落的动力学结构因子满足不同形式的求和规则.特别是动力学结构因子的一阶矩一般不具有空间反演对称性.针对两个特定的模型——Raman耦合作用下的无相互作用费米气体与弱相互作用玻色气体,分别计算了在不同参数条件下密度涨落和自旋涨落的动力学结构因子,并讨论了实验上观测其一阶矩偏离空间反演对称所需达到的能谱分辨率.     

Properties of a Bound Polaron under a Perpendicular Magnetic Field

We investigate the influence of a perpendicular magnetic field on a bound polaron near the interface of a polar-polar semiconductor with Rashba effect. The external magnetic field strongly changes the ground state binding energy of the polaron and the Rashba spin-orbit （SO） interaction originating from the inversion asymmetry in the heterostructure splits the ground state binding energy of the bound polaron. In this paper, we have shown how the ground state binding energy will be with the change of the external magnetic field, the location of a single impurity, the wave vector of the electron and the electron areal density, taking into account the SO coupling. Due to the presence of the phonons, whose energy gives negative contribution to the polaron＇s, the spin-splitting states of the bound polaron are more stable, and we find that in the condition of week magnetic field, the Zeeaman effect can be neglected.     

含δ势垒的铁磁/半导体/铁磁异质结中的自旋输运和渡越时间

研究了含δ势垒的铁磁/半导体/铁磁异质结中自旋相关的透射概率和渡越时间,讨论了量子尺寸效应和Rashba自旋轨道耦合效应对隧穿特性的影响.研究结果表明：δ势垒的存在降低了自旋电子的透射概率,改变了透射概率的位相.Rashba自旋轨道耦合强度的增加加大了透射概率的振荡频率.不同自旋取向的电子隧穿异质结时,渡越时间随着半导体长度、Rashba自旋轨道耦合强度以及两铁磁电极中的磁化方向的夹角的变化而变化. 关键词： δ势垒')" href="#">δ势垒 铁磁/半导体/铁磁异质结 Rashba自旋轨道耦合效应 渡越时间     

Theoretical study of potential energy curves,spectroscopic constants,and radiative lifetimes of low-lying states in SeO molecule

The low-lying potential energy curves of SeO molecule are computed by means of ab initio multireference configuration interaction technique, taking into account relativistic (scalar plus spin-orbit coupling) effects. The spectroscopic constants of Ω states for X³Σ^-, a¹Δ, b¹Σ⁺, A³Π, A'³Δ, and A"³Σ⁺ states are obtained, and they are in good accordance with available experimental values. The Franck-Condon factors and transition dipole moments to the ground state are computed, and the natural radiative lifetimes of low-lying Ω states are theoretically obtained. Comparisons of the natural lifetimes of Ω states with previous experimental results and those of isovalent TeO molecule are made.