Magnetism in closed-shell quantum dots: emergence of magnetic bipolarons

Similar to atoms and nuclei, semiconductor quantum dots exhibit the formation of shells. Predictions of magnetic behavior of the dots are often based on the shell occupancies. Thus, closed-shell quantum dots are assumed to be inherently nonmagnetic. Here, we propose a possibility of magnetism in such dots doped with magnetic impurities. On the example of the system of two interacting fermions, the simplest embodiment of the closed-shell structure, we demonstrate the emergence of a novel broken-symmetry ground state that is neither spin singlet nor spin triplet. We propose experimental tests of our predictions and the magnetic-dot structures to perform them.     

First excitations of the spin 1/2 Heisenberg antiferromagnet on the kagomé lattice

We study the exact low energy spectra of the spin 1/2 Heisenberg antiferromagnet on small samples of the kagomé lattice of up to N=36 sites. In agreement with the conclusions of previous authors, we find that these low energy spectra contradict the hypothesis of Néel type long range order. Certainly, the ground state of this system is a spin liquid, but its properties are rather unusual. The magnetic () excitations are separated from the ground state by a gap. However, this gap is filled with nonmagnetic () excitations. In the thermodynamic limit the spectrum of these nonmagnetic excitations will presumably develop into a gapless continuum adjacent to the ground state. Surprisingly, the eigenstates of samples with an odd number of sites, i.e. samples with an unsaturated spin, exhibit symmetries which could support long range chiral order. We do not know if these states will be true thermodynamic states or only metastable ones. In any case, the low energy properties of the spin 1/2 Heisenberg antiferromagnet on the kagomé lattice clearly distinguish this system from either a short range RVB spin liquid or a standard chiral spin liquid. Presumably they are facets of a generically new state of frustrated two-dimensional quantum antiferromagnets. Received: 27 November 1997 / Accepted: 29 January 1998     

Nonmagnetic impurities induced magnetism in SnO2

A density functional study is performed to investigate the magnetism induced by the nonmagnetic impurity substitution for the cation in SnO₂. The calculated results show that the K impurity substitution leads to a robust magnetism in SnO₂, and the induced magnetic moments are mainly attributed to the first shell of oxygen atoms surrounding the impurity atom. Meanwhile, no magnetism is observed in SnO₂ doped with Ca which implies a decreasing tendency of induced magnetic moments for Sn substituted by vacancy, K, and Ca. It is also demonstrated that the magnetic coupling constant oscillates as a function of K-K separation distance, and the Curie temperature above room temperature can be obtained in K-doped SnO₂.     

“Soft” modes of the excitation spectrum constructed on perturbations of the Abrikosov lattice with a single flux quantum in the unit cell

We have analyzed the spectrum of gapless excitations emerging upon the perturbation of the Abrikosov lattice with a single flux quantum in the unit cell. Superconductors with Ginzburg–Landau parameter κ close to unity are of special interest. We have determined the spectrum of gapless excitations close to zeroth shear modes for an arbitrary angle ? between the unit cell vectors. Analysis of the excitation spectra of triangular and square lattices with a single flux quantum in the unit cell has shown that solutions with a number of flux quanta greater than one exist at least in the range of parameters κ close to unity (κ > 1) and give smaller values of the free energy as compared to its values for a triangular lattice with a single flux quantum. For small values of momentum k (in the k ² approximation), the excitation spectrum of the “transverse” mode in the triangular lattice is independent of the direction of the momentum lying in the plane perpendicular to the magnetic field. For the square lattice (? = π/2), the transverse mode is anisotropic in the k ² approximation also.     

Gapless color-flavor-locked quark matter

In neutral cold quark matter that is so dense that the strange quark mass Ms is unimportant, all three quark flavors pair in a color-flavor locked (CFL) pattern, and all nine fermionic quasiparticles have a gap Delta (or 2Delta). We argue that, as the density decreases (or Ms increases), there is a quantum phase transition (at M(2s/mu approximately 2Delta) to a new "gapless CFL phase" in which only seven quasiparticles have a gap. There is still an unbroken U(1)(Q) gluon/photon, but, unlike CFL, gapless CFL is a Q conductor with gapless (charged) quasiquarks and a nonzero electron density at zero temperature, so its low energy effective theory and astrophysical properties are qualitatively new. At the transition, the dispersion relations of both gapless quasiparticles are quadratic, but for larger M2s/mu, one becomes conventionally linear while the other remains quadratic, up to tiny corrections.     

Magnetism in artificial lattices

We compare magnetism in two artificial lattice structures, a quantum dot array formed in a two-dimensional electron gas and an optical lattice loaded with repulsive, contact-interacting fermionic atoms. When the tunneling between the lattice sites is strong, both lattices are non-magnetic. With reduced tunneling in the tight-binding limit, the shell-filling of the single-site quantum wells combined with Hund's rule determines the magnetism. This leads to a systematic magnetic phase diagram with non-magnetic, ferromagnetic and antiferromagnetic phases.     

光晶格中超冷原子系统的磁激发

囚禁在光学晶格中的旋量凝聚体由于其长的相干性和可调控性,使其成为时下热点的多比特量子计算的潜在候选载体,清楚地了解该体系的自旋和磁性的产生和调控就显得尤为重要.本文主要从理论上回顾了光晶格原子自旋链的磁性的由来和操控手段.从激光冷却原子出发,制备旋量玻色-爱因斯坦凝聚体,并装载进光晶格,最后实现原子自旋链,对整个过程的理论研究进行了综述;就如何产生和操控自旋激发进行了详细探讨,其中包括磁孤子的制备;讨论了如何将原子自旋链应用于量子模拟.对光学晶格中的磁激发研究将会对其在冷原子物理、凝聚态物理、量子信息等各方向的应用起指导性作用.     

Ferromagnetism in the Hubbard Model with a Gapless Nearly-Flat Band

We present a version of the Hubbard model with a gapless nearly-flat lowest band which exhibits ferromagnetism in two or more dimensions. The model is defined on a lattice obtained by placing a site on each edge of the hypercubic lattice, and electron hopping is assumed to be only between nearest and next nearest neighbor sites. The lattice, where all the sites are identical, is simple, and the corresponding single-electron band structure, where two cosine-type bands touch without an energy gap, is also simple. We prove that the ground state of the model is unique and ferromagnetic at half-filling of the lower band, if the lower band is nearly flat and the strength of on-site repulsion is larger than a certain value which is independent of the lattice size. This is the first example of ferromagnetism in three dimensional non-singular models with a gapless band structure.     

Artificial isotropic magnetism and negative refraction of metamaterial consisting of dielectric spherical shells

We present a detailed study on the artificial magnetism of high-permittivity dielectric spherical shell array and the negative refraction behavior of the composite consisting of dielectric spherical shells and metal wire lattice. The spherical shell array in cubic lattice arrangement can exhibit an isotropic negative magnetism when excited into magnetic dipole resonance. When the dielectric spherical shell and metal wire lattice are combined in a body-centered cubic structure, full-wave simulations show that the bulk metamaterial with this structure can exhibit a negative refraction behavior. It is shown that artificial magnetic response can originate from differently structured dielectric elements, similarly to the conventional metamaterial constituents based on metal resonance structures.     

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.     

Orbital analogue of the quantum anomalous Hall effect in p-band systems

We investigate the topological insulating states of the p-band systems in optical lattices induced by the on site orbital angular momentum polarization, which exhibit gapless edge modes in the absence of Landau levels. This effect arises from the energy-level splitting between the on site p_{x}+ip_{y} and p_{x}-ip_{y} orbitals by rotating each optical lattice site around its own center. At large rotation angular velocities, this model naturally reduces to two copies of Haldane's quantum Hall model. The distribution of the Berry curvature in momentum space and the quantized Chern numbers are calculated. The experimental realization of this state is feasible.     

基于平面波展开法的二维光子晶体表面模式研究

采用平面波展开法研究了四种二维光子晶体结构(圆柱介质柱四方晶格、圆柱介质柱三角晶格、正方介质柱四方晶格、正方介质柱三角晶格)的带隙宽度随介质柱尺寸变化的关系.使用平面波展开法计算常规晶格和表面缺陷晶格的模式并进行结果叠加,研究了各结构的二维光子晶体在带隙宽度最大时的表面模式.结果表明,同种晶格的光子晶体带隙宽度随着介质柱的尺寸增大呈先增后减趋势,存在最大值.随着表面介质柱尺寸的增加,四种晶格表面模式曲线均呈下降趋势.四方晶格光子晶体与三角晶格相比,表面介质柱尺寸的变化范围更大,但能获取表面模式频率范围较小.     

基于平面波展开法的二维光子晶体表面模式研究

采用平面波展开法研究了四种二维光子晶体结构(圆柱介质柱四方晶格、圆柱介质柱三角晶格、正方介质柱四方晶格、正方介质柱三角晶格)的带隙宽度随介质柱尺寸变化的关系.使用平面波展开法计算常规晶格和表面缺陷晶格的模式并进行结果叠加,研究了各结构的二维光子晶体在带隙宽度最大时的表面模式.结果表明,同种晶格的光子晶体带隙宽度随着介质柱的尺寸增大呈先增后减趋势,存在最大值.随着表面介质柱尺寸的增加,四种晶格表面模式曲线均呈下降趋势.四方晶格光子晶体与三角晶格相比,表面介质柱尺寸的变化范围更大,但能获取表面模式频率范围较小.     

Self-trapped spatially localized states in combined linear-nonlinear periodic potentials

We analyze the existence and stability of two kinds of self-trapped spatially localized gap modes,gap solitons and truncated nonlinear Bloch waves,in one-and two-dimensional optical or matter-wave media with self-focusing nonlinearity,supported by a combination of linear and nonlinear periodic lattice potentials.The former is found to be stable once placed inside a single well of the nonlinear lattice,it is unstable otherwise.Contrary to the case with constant self-focusing nonlinearity,where the latter solution is always unstable,here,we demonstrate that it nevertheless can be stabilized by the nonlinear lattice since the model under consideration combines the unique properties of both the linear and nonlinear lattices.The practical possibilities for experimental realization of the predicted solutions are also discussed.     

通信波段硅基气孔光子晶体的带隙特性及其物理模型研究

用平面波展开法对硅背景下的通信波段不同晶格类型和气孔形状光子晶体的能带结构进行数值计算与分析,提出了相应的物理模型.结果表明:利用光子受限效应和晶格对称性效应可以有效地调控光子带隙.随光子晶体填充率的增加,其约束光子的能力增强,光子带隙在一定范围内展宽且其中心频率蓝移;带隙随晶格对称性增加而变宽.对基元形状和旋转角度的研究发现,光子带隙随基元旋转角度变化具有周期性和对称性,表现出各向异性,由此优化出对应的不同晶格的最佳谐振腔型结构.     

Fe原子薄片的磁性:第一性原理计算

使用基于密度泛函理论的第一原理方法,对Fe单层原子薄片在二维正方、二维六角晶格下的电子结构和磁学性质进行了系统研究.结果表明,二维正方、二维六角以及bcc晶格在平衡晶格常数下都具有磁性,其单位原子磁矩分别为2.65,2.54和2.20μ_В.对二维晶格在被压缩和被拉伸时的磁性计算表明,随着晶格的被拉伸,当最近邻原子间距大于4.40时,铁原子间的键合被拉断,体系单位原子的磁矩趋于孤立Fe原子的磁矩4μ_В;随着原子键长的减小,各体系的磁矩 关键词： Fe 原子薄片 磁性 从头计算     

Ab-initio study of competing magnetic configurations in cubic BiFeO3 alloys

Using ab-initio calculations, we study the properties of the multiferroic BiFeO₃ compounds in the perfect cubic perovskite lattice structure. We show that the appearance of magnetism is energetically favorable. Except the ferromagnetic structure, there are three possible antiferromagnetic arrangements, which are close in energy, and for large values of the lattice constant a G-type antiferromagnetism is the most stable magnetic order. Fe atoms are responsible for the spin magnetic moments while the values of the induced spin moments at the other sites depend strongly on the local environment of the atoms. There is a significant charge transfer from the Fe and Bi atoms towards the p-states of O atoms.     

二维棋盘格子复式晶格的完全光子带隙研究

设计了一种棋盘格子复式晶格的二维光子晶体：在二维正方形格子中，把截面为正方形的柱子旋转45°，同时在每个原胞中心引入一个圆形截面的柱子构成的光子晶体结构. 用平面波展开计算棋盘格子复式晶格的完全光子带隙，结果表明：棋盘格子复式晶格的完全光子带隙的Δω/ω比值几乎是普通棋盘格子的5倍，完全光子带隙的个数也增加. 与其他复式结构相比较，发现其最佳的Δω/ω比值是一类粗锐复合结构光子晶体的2.1倍. 关键词： 二维光子晶体 复式晶格 完全光子带隙     

Band structure calculations for Heusler phase Co2YBi and half-Heusler phase CoYBi (Y=Mn, Cr)

We have studied the electron structure and magnetic properties of Heusler phase Co₂YBi and half-Heusler phase CoYBi (Y=Mn, Cr) by using the full-potential linearized-augmented plane-wave (FLAPW) method. Co₂MnBi and Co₂CrBi are predicted to be half-metallic magnetism with a total magnetic moment of 6 and 5 μ_B, respectively, well consistent with the Slater-Pauling rule. We also predict CoMnBi to be half-metallic magnetism with a slight compression. The gap origin for Co₂MnBi and Co₂CrBi is due to the 3d electron splitting of Mn (Cr) and Co atoms, and the gap width depends on Co electron splitting. The atom coordination surroundings have a great influence on the electron structure, and consequently the Y site in the X₂YZ structure has a more remarkable electron splitting than the X site due to the more symmetric surroundings. The investigation regarding the lattice constant dependence of magnetic moment shows that the Co magnetic moment exhibits an opposite behavior with the change of the lattice constant for Heusler and half-Heusler alloys, consequently leading to the different variation trends for total magnetic moment. The variation of total and atom magnetic moment versus lattice constant can be explained by the extent of 3d electron splitting and localization of Mn (Cr) and Co atoms for both the series of alloys.