Finite size effects on the helical edge states on the Lieb lattice

For a two-dimensional Lieb lattice,that is,a line-centered square lattice,the inclusion of the intrinsic spin–orbit(ISO)coupling opens a topologically nontrivial gap,and gives rise to the quantum spin Hall(QSH) effect characterized by two pairs of gapless helical edge states within the bulk gap.Generally,due to the finite size effect in QSH systems,the edge states on the two sides of a strip of finite width can couple together to open a gap in the spectrum.In this paper,we investigate the finite size effect of helical edge states on the Lieb lattice with ISO coupling under three different kinds of boundary conditions,i.e.,the straight,bearded and asymmetry edges.The spectrum and wave function of edge modes are derived analytically for a tight-binding model on the Lieb lattice.For a strip Lieb lattice with two straight edges,the ISO coupling induces the Dirac-like bulk states to localize at the edges to become the helical edge states with the same Dirac-like spectrum.Moreover,it is found that in the case with two straight edges the gapless Dirac-like spectrum remains unchanged with decreasing the width of the strip Lieb lattice,and no gap is opened in the edge band.It is concluded that the finite size effect of QSH states is absent in the case with the straight edges.However,in the other two cases with the bearded and asymmetry edges,the energy gap induced by the finite size effect is still opened with decreasing the width of the strip.It is also proposed that the edge band dispersion can be controlled by applying an on-site potential energy on the outermost atoms.     

Helical quantum states in HgTe quantum dots with inverted band structures

We investigate theoretically the electron states in HgTe quantum dots (QDs) with inverted band structures. In sharp contrast to conventional semiconductor quantum dots, the quantum states in the gap of the HgTe QD are fully spin-polarized and show ringlike density distributions near the boundary of the QD and spin-angular momentum locking. The persistent charge currents and magnetic moments, i.e., the Aharonov-Bohm effect, can be observed in such a QD structure. This feature offers us a practical way to detect these exotic ringlike edge states by using the SQUID technique.     

Quantum spin Hall effect in inverted type-II semiconductors

The quantum spin Hall (QSH) state is a topologically nontrivial state of quantum matter which preserves time-reversal symmetry; it has an energy gap in the bulk, but topologically robust gapless states at the edge. Recently, this novel effect has been predicted and observed in HgTe quantum wells and in this Letter we predict a similar effect arising in Type-II semiconductor quantum wells made from InAs/GaSb/AlSb. The quantum well exhibits an "inverted" phase similar to HgTe/CdTe quantum wells, which is a QSH state when the Fermi level lies inside the gap. Due to the asymmetric structure of this quantum well, the effects of inversion symmetry breaking are essential. Remarkably, the topological quantum phase transition between the conventional insulating state and the quantum spin Hall state can be continuously tuned by the gate voltage, enabling quantitative investigation of this novel phase transition.     

Strong coupling between a permalloy ferromagnetic contact and helical edge channel in a narrow HgTe quantum well

We experimentally investigate spin-polarized electron transport between a permalloy ferromagnet and the edge of a two-dimensional electron system with band inversion, realized in a narrow, 8 nm wide, HgTe quantum well. In zero magnetic field, we observe strong asymmetry of the edge potential distribution with respect to the ferromagnetic ground lead. This result indicates that the helical edge channel, specific for the structures with band inversion even at the conductive bulk, is strongly coupled to the ferromagnetic side contact, possibly due to the effects of proximity magnetization. This allows selective and spin-sensitive contacting of helical edge states.     

Electronic structure of HgTe nanocrystals: An observation of p-d weakening

Photoemission studies to identify the electronic structure of the HgTe nanocrystals revealed a new phenomenon of p-d weakening, as a consequence of size quantization effect associated with the mean crystalline size, 5.35 ± 0.83 nm. The weakening of the p-d hybridization by a factor of 0.33, to that of the bulk HgTe suggests the valence band maxima and core level shifts toward higher binding energy. The widening of the band gap due to size quantization is confirmed from optical absorption and photoluminescence measurements. The upward and downward shift of the conduction band minima and the valence band maxima with respect to the bulk value of HgTe are found to be 1.6 eV and 0.54 eV respectively.     

Photoexcitation in two-dimensional topological insulators

One of the most fascinating challenges in Physics is the realization of an electron-based counterpart of quantum optics, which requires the capability to generate and control single electron wave packets. The edge states of quantum spin Hall (QSH) systems, i.e., two-dimensional (2D) topological insulators realized in HgTe/CdTe and InAs/GaSb quantum wells, may turn the tide in the field, as they do not require the magnetic field that limits the implementations based on quantum Hall effect. However, the band structure of these topological states, described by a massless Dirac fermion Hamiltonian, prevents electron photoexcitation via the customary vertical electric dipole transitions of conventional optoelectronics. So far, proposals to overcome this problem are based on magnetic dipole transitions induced via Zeeman coupling by circularly polarised radiation, and are limited by the g-factor. Alternatively, optical transitions can be induced from the edge states to the bulk states, which are not topologically protected though.Here we show that an electric pulse, localized in space and/or time and applied at a QSH edge, can photoexcite electron wavepackets by intra-branch electrical transitions, without invoking the bulk states or the Zeeman coupling. Such wavepackets are spin-polarised and propagate in opposite directions, with a density profile that is independent of the initial equilibrium temperature and that does not exhibit dispersion, as a result of the linearity of the spectrum and of the chiral anomaly characterising massless Dirac electrons. We also investigate the photoexcited energy distribution and show how, under appropriate circumstances, minimal excitations (Levitons) are generated. Furthermore, we show that the presence of a Rashba spin–orbit coupling can be exploited to tailor the shape of photoexcited wavepackets. Possible experimental realizations are also discussed.     

Magnetic quantum ring in two-dimensional topological insulators

The quantum properties of topological insulator magnetic quantum rings formed by inhomogeneous magnetic fields are investigated using a series expansion method for the modified Dirac equation. Cycloid-like and snake-like magnetic edge states are respectively found in the bulk gap for the normal and inverted magnetic field profiles. The energy spectra, current densities and classical trajectories of the magnetic edge states are discussed in detail. The bulk band inversion is found to manifest itself through the angular momentum transition in the ground state for the cycloid-like states and the resonance tunneling effect for the snake-like states.     

Prediction of an excitonic ground state in InAs/InSb quantum dots

Using atomistic pseudopotential and configuration-interaction many-body calculations, we predict an excitonic ground state in the InAs/InSb quantum-dot system. For large dots, the conduction band minimum of the InAs dot lies below the valence band maximum of the InSb matrix. Due to quantum confinement, at a critical size calculated here for various shapes, the gap E(g) between InAs conduction states and InSb valence states vanishes. Strong electron-hole correlation effects are induced by the spatial proximity of the electron and hole wave functions, and by the lack of strong (exciton unbinding) screening, afforded by the existence of discrete 0D confined energy levels. These correlation effects overcome E(g), leading to the formation of a biexcitonic ground state (two electrons in InAs and two holes in InSb) being energetically more favorable (by approximately 15 meV) than the dot without excitons.     

外场调控下硼磷烯量子点的电子结构和光学性质研究

采用紧束缚近似方法对锯齿状六边形硼磷烯量子点在平面电场和垂直磁场调控下的电子结构和光学性质进行了研究. 研究表明,硼磷烯量子点作为直接带隙半导体,在无外加电场和磁场作用时,能隙不随尺寸的改变而变化. 在平面电场调控下,能隙随电场强度的增加逐渐减小直至消失,平面电场方向几乎不会对硼磷烯量子点体系产生影响, 且随量子点尺寸的增大,能隙消失所需电场强度逐渐减小. 在垂直磁场调控下,表现为体态的能级在磁场作用下形成朗道能级,而能隙边缘处的朗道能级近似为一个平带,不随磁通量的改变而变化,态密度主要分布于朗道能级处. 另外,垂直磁场作用下的光吸收主要是由朗道能级之间的跃迁引起的.     

磁场中的拓扑绝缘体边缘态性质

用数值方法研究了拓扑绝缘体薄膜体系在外加垂直磁场 作用下其边缘态的性质. 磁场的加入通过耦合k+eA, 即Peierls势替换关系和 该作用导致的Zeeman交换场体现在哈密顿量中. 考虑窄条圆环状结构的二维InAs/GaSb/AlSb薄膜量子阱材料, 当其处于拓扑非平庸状态, 即量子自旋霍尔态时, 会出现受时间反演对称性保护的两支简并边缘态, 而在垂直磁场的作用下, 时间反演对称性被破坏, 这时能带将形成一条条的朗道能级, 原来简并的两支边缘态也会分开到朗道能级谱线的两侧, 从电子态密度的空间分布情况则可以看到边缘态分别局域在材料的两个边界. 随着磁场的增大, 位于同一边界上的不同 自旋极化的边缘态将出现分离: 一支仍然局域在边缘, 另一支则随外加磁场的增加而有逐渐演化到材料内部的趋势. 文中还计算了同一边界上的两支边缘态之间的散射, 结果表明由于两个边缘态在空间发生分离, 相互之间的散射被很大的压制, 得到了其散射随磁场增加没有明显变化的结论, 所以磁场并不会增强散射过程, 也没有破坏体拓扑材料的性质, 说明了量子自旋霍尔态在没有时间反演对称的情况下也可以有较强的稳定性.     

Self consistent energy band structures for HgTe and CdTe

Self consistent energy band calculations have been performed for HgTe and CdTe with local density functional potentials, using the LMTO method in the atomic sphere approximation. Equilibrium volumes and bulk moduli are obtained in good agreement with experiment. In the case of HgTe the effect of spin-orbit interation is found to be important in obtaining the equilibrium volume. For both materials the energy bands (although in qualitative agreement with experiment) show a semiconducting gap (inverted in the case of HgTe) which is almost 1 eV lower than experiment. This seems to be a feature common to all calculations for semiconductors using existing local exchange and correlation potentials.     

Spin of the ground quantum state of electrons from first principles in the representation of Feynman path integrals

A method for calculating the spin of the ground quantum state of nonrelativistic electrons and distance between energy levels of quantum states differing in the spin magnitude from first principles is proposed. The approach developed is free from the one-electron approximation and applicable in multielectron systems with allowance for all spatial correlations. The possibilities of the method are demonstrated by the example of calculating the energy gap between spin states in model ellipsoidal quantum dots with a harmonic confining field. The results of computations by the Monte Carlo method point to high sensitivity of the energy gap to the break of spherical symmetry of the quantum dot. For three electrons, the phenomenon of inversion has been revealed for levels corresponding to high and low values of the spin. The calculations demonstrate the practical possibility to obtain spin states with arbitrarily close energies by varying the shape of the quantum dot, which is a key condition for development prospects in technologies of storage systems based on spin qubits.     

限域量子态调控研究

电子、激子和声子等量子态在固体中的行为早已被人们所熟知. 然而,当体系的尺寸只有纳米量级的时候,已有的固体理论常常不能适用,需要新的低维物理理论的建立. 我们系统研究了低维体系限域量子态（包括电子、激子和声子）的行为对环境、应力、压力及光的响应和性质的调控. 较早认识到低维体系之显著的表面-体积比对量子态性质调控之有效性,系统地揭示了低维体系的一系列由表面和应力决定的新颖性质,证明了低维体系的表面和应力效应同量子限域效应同等重要. 本文概况了如下五个方面的结果：（1）一种使用应力效应调控电子能带结构的方法和（2）一种使用表面效应调控电子能带结构的方法（这两个方法都可将低维体系能带从间接能隙调控至直接能隙能带结构）;（3）一种低维体系表面掺杂方法,该方法将在低维体系掺杂中取代传统方法;（4）量子点表面诱导的光致异构现象;（5）基于表面自催化半导体低维结构的形成机理. 希望我们的研究工作有助于促进低维体系在光电子、纳电子、环境、能源、生物和医学等领域的应用.     

Effects of electric and magnetic fields on electronic states and transport of a Hall bar

We study the edge-state band and transport property for a HgTe/CdTe quantum well Hall bar under the combined coupling of a transverse electric field and a perpendicular magnetic field. It is demonstrated that a weak magnetic field can protect one of the two edge states, open or enlarge a gap of the other edge state in the Hall bar. However, an appropriate electric field can remove the gap, restoring the quantum spin Hall effect. Using the scattering matrix method, we study the electronic transport of the system. We find that the electric field can not only make the switch from pure spin-up to spin-down current, but also open or close the edge-state channels in a narrow Hall bar under a weak magnetic field, which provides us with a new way to construct a topological insulator-based spin switch and charge switch.     

Design principles and coupling mechanisms in the 2D quantum well topological insulator HgTe/CdTe

We present atomistic band structure calculations revealing a different mechanism than recently surmised via k · p calculations about the evolution of the topological state (TS) in HgTe/CdTe. We show that 2D interface (not 1D edge) TSs are possible. We find that the transitions from a topological insulator at critical HgTe thickness of n = 23 ML (6.453 [corrected] ?) to a normal insulator at smaller n is due to the crossing between two interface-localized states: one derived from the S-like Γ?(c) and one derived from the P-like Γ?(v) light hole, not because of the crossing of an interface state and an extended quantum well state. These atomistic calculations suggest that a 2D TS can exist in a 2D system, even without truncating its symmetry to 1D, thus explaining the otherwise surprising similarity between the 2D dispersion curves of the TS in HgTe/CdTe with those of the TS in 3D bulk materials such as Bi?Se?.     

Quantum Dot Research: Current State and Future Prospects

This article reviews the current state of research involving semiconductor quantum dots, provides a brief review of the theory behind their unique properties, and an introduction explaining the importance of quantum dot research. The characteristic shifting of the band gap energy with quantum dot size, as predicted from the density of states for low-dimensional structures, allows experimental measurements to determine the extent to which quantum confinement effects play a role in the resulting properties. A few of the current techniques used to measure the presence and physical characteristics of quantum dots and their energy levels is reviewed, including transmission electron microscopy, optical transmission, and Raman and photoluminescence spectroscopy. Finally, some of the more exciting applications for quantum dots currently being researched for use in the field of optoelectronics are reviewed, including quantum dot infrared photodetectors, quantum dot lasers, and quantum dot solar cells. Comments are made on the current progress and the future prospects of quantum dot research and device applications.     

Blockade of tunneling in a suspended single-electron transistor

The tunneling of electrons that is limited by the Coulomb blockade effect in a single-electron transistor with a quantum dot based on a narrow GaAs/AlGaAs quantum wire suspended over a substrate is investigated. By means of a direct comparison experiment, the tunneling features associated with the separation of the quantum dot from the substrate are revealed. In addition to an increase in the charge energy (Coulomb gap), which reaches 170 K in temperature units, the dependence of this energy on the number of electrons in the quantum dot, which varies from zero to four, is observed. This dependence is explained by a change in the effective size of the dot due to the effect of the depleting gate voltage. Moreover, the additional blockade of tunneling that is different from the Coulomb blockade and is specific for suspended structures is observed. It is shown that this blockade is not associated with the dynamical effect of exciting local phonon modes and can be attributed to the change in the static elastic strains in the quantum wire that accompany the tunneling of an electron to/from the quantum dot.     

Ab initio study of water adsorption on TiO2-terminated (100) surface of SrTiO3 with and without Cr doping

Water molecule adsorption on TiO₂-terminated (100) surface of SrTiO₃ with and without Cr doping is investigated by first principle calculation based on density functional theory. The band gap is shrunk compared with that of bulk due to the existence of defect states on the surface and 3d states of dopants. As a result the absorption energy edge is reduced and locates in the visible region. When adsorbed on the surface, energy levels of water molecules as a whole are lowered with respect to the Fermi energy, but the higher levels are split and electrons are transferred from low levels to high levels due to the decrease of the density of states in low energy region. Weak bonding is formed between water hydrogen atoms and surface oxygen atoms. This bonding causes the electron transferring from substrate to molecule and the occupation of the corresponding states.     

GaN半导体中InN量子点的结构性质

采用第一性原理模拟计算纤锌矿结构GaN半导体中InN量子点的结构性质。建立64和128个原子的超原胞量子点模型,进行结构优化以获得稳定的吻合实际的系统,并模拟分析电子结构。从态密度空间分布图看到不同轴向的量子势阱形状各异、深度不一,说明量子点的限域效应存在着各向异性的特点。c轴极化方向引起量子点结构带边的弯曲形状与传统的量子阱结构不同,使得电子空穴没有发生空间分离,有利于电子空穴的跃迁几率的提高。     

Terahertz electron transport in a two-dimensional topological insulator in a HgTe quantum well

The terahertz response of a two-dimensional topological insulator in a HgTe quantum well to radiation with wavelengths of 118 and 184 μm is investigated. It is found that the photoconductivity is rather high (up to a few percent of dark conductivity) and is manifested in both the local and nonlocal responses of the system. This fact proves that the observed photoconductivity is caused by changes in the transport via edge current-carrying states. The sign and nonresonant character of the photoconductivity indicate that it is caused by the heating of electrons in the system. The analysis of experimental results makes it possible to suggest that this heating originates from the Drude absorption of terahertz radiation by metallic “droplets” appearing owing to fluctuations in the impurity potential and the gap and located in direct proximity to edge states.