Entanglement Negativity and Concurrence in Some Low-Dimensional Spin Systems

The influence of magnon bands on entanglement in the antiferromagnetic XXZ model on a triangular lattice, which models the bilayer structure consisting of an antiferromagnetic insulator and normal metal, is investigated. This effect was studied in ferromagnetic as well as antiferromagnetic triangular lattices. Quantum entanglement measures given by the entanglement negativity have been studied, where a magnon current is induced in the antiferromagnet due to interfacial exchange coupling between localized spins in the antiferromagnet and itinerant electrons in a normal metal. Moreover, quantum correlations in other frustrated models, namely the metal-insulation antiferromagnetic bilayer model and the Heisenberg model with biquadratic and bicubic interactions, are analyzed.     

Coupling Stacking Orders with Interlayer Magnetism in Bilayer H-VSe_2

Stacking-dependent magnetism in van der Waals materials has caught intense interests.Based on the first principle calculations,we investigate the coupling between stacking orders and interlayer magnetic orders in bilayer H-VSe₂.It is found that there are two stable stacking orders in bilayer H-VSe₂,named AB-stacking and A’B-stacking.Under standard DFT framework,the A’B-stacking prefers the interlayer AFM order and is semiconductive,whereas the AB-stacking prefers the FM ord...     

Tunable bandgaps and flat bands in twisted bilayer biphenylene carbon

Owing to the interaction between the layers, the twisted bilayer two-dimensional(2 D) materials exhibit numerous unique optical and electronic properties different from the monolayer counterpart, and have attracted tremendous interests in current physical research community. By means of first-principles and tight-binding model calculations, the electronic properties of twisted bilayer biphenylene carbon(BPC) are systematically investigated in this paper. The results indicate that the effect of twist will not only leads to a phase transition from semiconductor to metal, but also an adjustable band gap in BPC(0 me V to 120 me V depending on the twist angle). Moreover, unlike the twisted bilayer graphene(TBG), the flat bands in twisted BPC are no longer restricted by "magic angles", i.e., abnormal flat bands could be appeared as well at several specific large angles in addition to the small angles. The charge density of these flat bands possesses different local modes, indicating that they might be derived from different stacked modes and host different properties. The exotic physical properties presented in this work foreshow twisted BPC a promising material for the application of terahertz and infrared photodetectors and the exploration of strong correlation.     

垂直电场下扭转双层石墨烯光学吸收性质的理论研究

层间扭转角度是对石墨烯物理性质宽波段可调谐的一个新参量.本文采用2°<θ<15°扭转角度下的连续近似模型,获得了不同扭转角度双层石墨烯分别在有、无电场下的能带结构,通过电子-光子相互作用跃迁速率,计算模拟了范霍夫奇点附近电子带内跃迁和带间跃迁所引起的光学吸收谱.结果表明,在无外加电场时,带间跃迁吸收峰的位置随着扭转角度的增大而发生从红外到可见光波段的蓝移,且吸收系数增大,带内跃迁的光学吸收系数相对于带间跃迁高出2个数量级;而存在外加电场时,两个范霍夫奇点在波矢空间的位置发生偏移,带间跃迁吸收峰发生分裂,且两个分裂的吸收峰位置随着电场强度的不断增大而反向行进.上述研究结果对石墨烯材料在光电器件方面的应用有一定指导作用.     

Probing interlayer coupling in twisted single‐crystal bilayer graphene by Raman spectroscopy

Twisted bilayer graphene, in which interlayer interaction plays a critical role in this coupled system, is characterized for its angle‐dependent electronic and optical properties. Here, we present a systematic Raman study of single‐crystal twisted bilayer graphene grains, with the spectra of each bilayer graphene precisely correlated to its twist angle using combined transmission electron microscopic technique. Van Hove singularities develop as a result of band rehybridization at the crossing Dirac cones of the two layers, giving rise to a critical twist angle that determines the energy separation between the saddle points in the band structure and the resonance Raman spectra accordingly. The 2D mode becomes sensitive to the twist angle, showing the angle‐dependent position, peak width, and intensity. Our results interpreted in the framework of angle‐dependent double resonance scattering provide an important experimental perspective in understanding the coupled bilayer graphene system. Copyright © 2014 John Wiley & Sons, Ltd.     

Electronic and magnetic properties of semihydrogenated,fully hydrogenated monolayer and bilayer MoN_2 sheets

Based on density functional theory, we investigate the electronic and magnetic properties of semi-hydrogenated, fully hydrogenated monolayer and bilayer MoN_2. We find that the AB stacking bilayer MoN_2 exhibits ferromagnetic coupling of intralayer and antiferromagnetic coupling of interlayer, however, the ground states of the semi-hydrogenated, fully hydrogenated monolayer and AA stcaking bilayer MoN_2 are nonmagnetic. The fully hydrogenated system has a quasidirect band-gap of 2.5 eV, which has potential applications in light-emitting diode and photovoltaics. The AB stacking bilayer MoN_2 shows the Dirac cone at K point in BZ around Fermi energy. Furthermore, the interlayer of the AB stacking bilayer MoN_2 is subjected to a weak van der Waals force, while the interlayer of the AA stacking forms N-N covalent bond.     

Enhanced Ferromagnetism of CrI_3 Bilayer by Self-Intercalation

Two-dimensional(2D) ferromagnets with high Curie temperature have long been the pursuit for electronic and spintronic applications.CrI₃ is a rising star of intrinsic 2D ferromagnets, however, it suffers from weak exchange coupling.Here we propose a general strategy of self-intercalation to achieve enhanced ferromagnetism in bilayer CrI₃.We show that filling either Cr or I atoms into the van der Waals gap of stacked and twisted CrI₃ bilayers can induce the double ...     

旋转双层石墨烯的电子结构

本文将第一性原理和紧束缚方法结合起来, 研究了层间不同旋转角度对双层石墨烯的电子能带结构和态密度的影响. 分析发现, 旋转双层石墨烯具有线性的电子能量色散关系, 但其费米速度随着旋转角度的减小而降低. 进一步研究其电子能带结构发现, 不同旋转角度的双层石墨烯在M点可能会出现大小不同的的带隙, 而这些能隙会增强双层石墨烯的拉曼模强度, 并由拉曼光谱实验所证实. 通过对比双层石墨烯的晶体结构和电子态密度, 发现M点处带隙来自于晶体结构中的“类AB堆垛区”. 关键词： 旋转双层石墨烯 第一性原理 紧束缚 电子结构     

Single-layer behavior and its breakdown in twisted graphene layers

We report high magnetic field scanning tunneling microscopy and Landau level spectroscopy of twisted graphene layers grown by chemical vapor deposition. For twist angles exceeding ~3° the low energy carriers exhibit Landau level spectra characteristic of massless Dirac fermions. Above 20° the layers effectively decouple and the electronic properties are indistinguishable from those in single-layer graphene, while for smaller angles we observe a slowdown of the carrier velocity which is strongly angle dependent. At the smallest angles the spectra are dominated by twist-induced van Hove singularities and the Dirac fermions eventually become localized. An unexpected electron-hole asymmetry is observed which is substantially larger than the asymmetry in either single or untwisted bilayer graphene.     

Fine structure of the light absorption spectrum of antiferromagnetic NaMnCl<Subscript>3</Subscript>

A fine structure of the optical absorption spectrum of antiferromagnetic NaMnCl₃ was measured around 23800 cm^–1 at temperatures in the range 1.8–50 K in magnetic fields up to 200 kOe. The fact that the intralayer ferromagnetic interaction in the crystal possessing a layered magnetic structure is stronger than the interlayer antiferromagnetic interaction leads to the formation of intensive hot exciton-magnon absorption bands. The special features of the exciton-magnon band structure in the crystal are connected with the special features of magnon dispersion and density of exciton-magnon states.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 10, pp. 23–28, October, 2004.     

Momentum Space Quantum Monte Carlo on Twisted Bilayer Graphene

We report an implementation of the momentum space quantum Monte Carlo(QMC) method on the interaction model for the twisted bilayer graphene(TBG). The long-range Coulomb repulsion is treated exactly with the flat bands, spin and valley degrees of freedom of electrons taking into account. We prove the absence of the minus sign problem for QMC simulation when either the two valleys or the two spin degrees of freedom are considered.By taking the realistic parameters of the twist angle and interlayer tunnelings into the simulation, we benchmark the QMC data with the exact band gap obtained at the chiral limit, to reveal the insulating ground states at the charge neutrality point(CNP). Then, with the exact Green's functions from QMC, we perform stochastic analytic continuation to obtain the first set of single-particle spectral function for the TBG model at CNP. Our momentum space QMC scheme therefore offers the controlled computation pathway for systematic investigation of the electronic states in realistic TBG model at various electron fillings.     

Magnetization and magnetic susceptibility of the Ising ferromagnetic/antiferromagnetic superlattice

A linear cluster mean-field approximation is used to study the magnetic properties of the Ising ferromagnetic/antiferromagnetic superlattice, which is composed of a spin-1/2 ferromagnetic monolayer and a spin-1 antiferromagnetic monolayer with a single-ion anisotropy alternatively. By using the transfer matrix method, we calculate the magnetization and the initial magnetic susceptibility as functions of temperature for different interlayer coupling, single-ion anisotropy. We summarize the changing behaviors of the spin structure in ferromagnetic and antiferromagnetic layers and the characteristics of the corresponding magnetic susceptibilities, give the transition temperature as a function of the interlayer exchange coupling for different single-ion anisotropy, and analyze the features of the magnetization and the magnetic susceptibility.     

Influences of Crystal-Field and Interlayer Coupling Interactions on Dynamic Phase Diagrams of a Mixed-Spin(3/2,2) Bilayer System

Influences of crystal-fields(D_A and D_B) and interlayer coupling interactions(J_3) on dynamic magnetic critical behaviors of a mixed-spin(3/2, 2) bilayer system under an oscillating magnetic field are investigated by the Glauber-type stochastic dynamics based on the mean-field theory. For this purpose, dynamic phase diagrams are constructed in the reduced temperature and magnetic field amplitude plane for the ferromagnetic/ferromagnetic(FM/FM),antiferromagnetic/ferromagnetic(AFM/FM) and AFM/AFM interactions in detail. We observe that the influences of D_A, D_B and J_3 interactions parameters on the behavior of the dynamic phase diagrams are very much.     

Magnon energy gap in a four-layer ferromagnetic superlattice

The magnon energy band in a four-layer ferromagnetic superlattice is studied by using the linear spin-wave approach and Green＇s function technique. It is found that three modulated energy gaps exist in the magnon energy band along Kx direction perpendicular to the superlattice plane. The spin quantum numbers and the interlayer exchange couplings all affect the three energy gaps. The magnon energy gaps of the four-layer ferromagnetic superlattice are different from those of the three-layer one. For the four-layer ferromagnetic superlattice, the disappearance of the magnon energy gaps △ω12, △ω23 and △ω34 all correlates with the symmetry of this system. The zero energy gap △ω23 correlates with the symmetry of interlayer exchange couplings, while the vanishing of the magnon energy gaps △ω12 and △ω34 corresponds to a translational symmetry of x-direction in the lattice. When the parameters of the system deviate from these symmetries, the three energy gaps will increase.     

Dynamic magnetic behavior of the mixed spin （2, 5/2） Ising system with antiferromagnetic/antiferromagnetic interactions on a bilayer square lattice

Using the mean-field theory and Glauber-type stochastic dynamics, we study the dynamic magnetic properties of the mixed spin （2, 5/2） Ising system for the antiferromagnetic/antiferromagnetic （AFM/AFM） interactions on the bilayer square lattice under a time varying （sinusoidal） magnetic field. The time dependence of average magnetizations and the thermal variation of the dynamic magnetizations are examined to calculate the dynamic phase diagrams. The dynamic phase diagrams are presented in the reduced temperature and magnetic field amplitude plane and the effects of interlayer coupling interaction on the critical behavior of the system are investigated. We also investigate the influence of the frequency and find that the system displays richer dynamic critical behavior for higher values of frequency than that of the lower values of it. We perform a comparison with the ferromagnetic/ferromagnetic （FM/FM） and AFM/FM interactions in order to see the effects of AFM/AFM interaction and observe that the system displays richer and more interesting dynamic critical behaviors for the AFM/AFM interaction than those for the FM/FM and AFM/FM interactions.     

Frequency in Middle of Magnon Band Gap in a Layered Ferromagnetic Superlattice

The frequency in middle of magnon energy band in a five-layer ferromagnetic superlattice is studied by using the linear spin-wave approach and Green＇s function technique. It is found that four energy gaps and corresponding four frequencie in middle of energy gaps exist in the magnon band along Kx direction perpendicular to the superlattice plane. The spin quantum numbers and the interlayer exchange couplings all affect the four frequencies in middle of the energy gaps. When all interlayer exchange couplings are same, the effect of spin quantum numbers on the frequency wg1 in middle of the energy gap Δw12 is complicated, and the frequency wg1 depends on the match of spin quantum numbers in each layer. Meanwhile, the frequencies wg2, wg3, and wg4 in middle of other energy gaps increase monotonously with increasing spin quantum numbers. When the spin quantum numbers in each layer are same, the frequencies wg1, wg2, wg3, and wg4 all increase monotonously with increasing interlayer exchange couplings.     

扭转双层石墨烯物理性质、制备方法及其应用的研究进展

石墨烯是一种准二维蜂窝网状结构新型纳米材料,石墨烯的层数和构型对其性能产生重要影响.固体中准粒子的量子状态由其本身的对称性质所决定,扭转双层石墨烯打破了对称性,引起了强烈的层间耦合作用,改变了扭转双层石墨烯的电子能带、声子色散、形成能垒等物性,产生了独特的性能,如可以连续调控带隙0-250 meV,光电效应的响应度相比于单层石墨烯提高了80倍,因此对扭转双层石墨烯功能化研究有重大意义.本文同时还论述了扭转双层石墨烯向类金刚石转变的理论与实验研究进展,发现扭转双层石墨烯呈现出具有类金刚石结构与性能特征.进一步阐述调控扭转双层石墨烯的扭转角度对其内在性能的影响,揭示这种新型纳米结构在原子层次的行为特征.最后介绍了如何调控制备扭转双层石墨,分析其调控机理,讨论了各种制备工艺的不足与发展趋势.因此本文从扭转双层石墨烯的输运性质、晶体结构转变、制备三个方面展开阐述,并对其在先进电子器件领域的潜在应用进行了展望.     

Theoretical study of broadband near-field optical spectrum of twisted bilayer graphene

We theoretically study the broadband near-field optical spectrum of twisted bilayer graphene (TBG) at various twist angles near the magic angle using two different models. The spectrum at low Fermi energy is characterized by a series of peaks that are almost at the same energies as the peaks in the far-field optical conductivity of TBG. When the Fermi energy is near a van Hove singularity, an additional strong peak appears at finite energy in the near-field spectrum, which has no counterpart in the optical conductivity. Based on a detailed calculation of the plasmon dispersion, we show that these spectroscopic features are associated with interband and intraband plasmons, which can provide critical information about the local band structure and plasmonic excitations in TBG. The near-field peaks evolve systematically with the twist angle, so they can serve as fingerprints for identifying the spatial dependent twist angle in TBG samples. Our findings pave the way for future experimental studies of the novel optical properties of TBG in the nanoscale.     

Ab-initio calculation of electronic structure and optical properties of AB-stacked bilayer α-graphyne

Monolayer α-graphyne is a new two-dimensional carbon allotrope with many special features. In this work the electronic properties of AA- and AB-stacked bilayers of this material and then the optical properties are studied, using first principle plane wave method. The electronic spectrum has two Dirac cones for AA stacked bilayer α-graphyne. For AB-stacked bilayer, the interlayer interaction changes the linear bands into parabolic bands. The optical spectra of the most stable AB-stacked bilayer closely resemble to that of the monolayer, except for small shifts of peak positions and increasing of their intensity. For AB-stacked bilayer, a pronounced peak has been found at low energies under the perpendicular polarization. This peak can be clearly ascribed to the transitions at the Dirac point as a result of the small degeneracy lift in the band structure.     

Anomalies in Ising metamagnets

Ising metamagnets in a field with weak ferromagnetic intralayer interactions and highly coordinated antiferromagnetic interlayer couplings are studied using mean field theory and Monte Carlo simulations. In the antiferromagnetic phase anomalies in the magnetization and the specific heat are observed, reflecting the competing ordering tendencies of the external field and the interlayer couplings. Results are compared to recent experimental findings on FeBr₂.