Magnetic anisotropy,exchange coupling and Dzyaloshinskii–Moriya interaction of two-dimensional magnets

The two-dimensional (2D) magnets provide novel opportunities for understanding magnetism and investigating spin related phenomena in several atomic thickness. Multiple features of 2D magnets, such as critical temperatures, magnetoelectric/magneto-optic responses, and spin configurations, depend on the basic magnetic terms that describe various spins interactions and cooperatively determine the spin Hamiltonian of studied systems. In this review, we present a comprehensive survey of three types of basic terms, including magnetic anisotropy that is intimately related with long-range magnetic order, exchange coupling that normally dominates the spin interactions, and Dzyaloshinskii−Moriya interaction (DMI) that favors the noncollinear spin configurations, from the theoretical aspect. We introduce not only the physical features and origin of these crucial terms in 2D magnets but also many correlated phenomena, which may lead to the advance of 2D spintronics.     

含有Dzyaloshinskii-Moriya相互作用的自旋1键交替海森伯模型的量子相变和拓扑序标度

利用张量网络表示的无限矩阵乘积态算法研究了含有Dzyaloshinskii-Moriya (DM)相互作用的键交替海森伯模型的量子相变和临界标度行为.基于矩阵乘积态的基态波函数计算了系统的量子纠缠熵及非局域拓扑序.数据表明,随着键交替强度变化,系统从拓扑有序的Haldane相转变为局域有序的二聚化相.同时DM相互作用抑制了系统的二聚化,并最终打破系统的完全二聚化.另外,通过对相变点附近二聚化序的一阶导数和长程弦序的数值拟合,分别得到了此模型相变的特征临界指数a和b的值.结果表明,随着DM相互作用强度的增强, a逐渐减小,同时b逐渐增大. DM相互作用强度影响着此模型的临界行为.针对此模型的临界性质的研究,揭示了量子自旋相互作用的彼此竞争机制,对今后研究含有DM相互作用的自旋多体系统中拓扑量子相变临界行为提供一定的借鉴与参考.     

Ground State,Magnetization Process and Bipartite Quantum Entanglement of a Spin-1/2 Ising–Heisenberg Model on Planar Lattices of Interconnected Trigonal Bipyramids

The ground state, magnetization scenario and the local bipartite quantum entanglement of a mixed spin-1/2 Ising–Heisenberg model in a magnetic field on planar lattices formed by identical corner-sharing bipyramidal plaquettes is examined by combining the exact analytical concept of generalized decoration-iteration mapping transformations with Monte Carlo simulations utilizing the Metropolis algorithm. The ground-state phase diagram of the model involves six different phases, namely, the standard ferrimagnetic phase, fully saturated phase, two unique quantum ferrimagnetic phases, and two macroscopically degenerate quantum ferrimagnetic phases with two chiral degrees of freedom of the Heisenberg triangular clusters. The diversity of ground-state spin arrangement is manifested themselves in seven different magnetization scenarios with one, two or three fractional plateaus whose values are determined by the number of corner-sharing plaquettes. The low-temperature values of the concurrence demonstrate that the bipartite quantum entanglement of the Heisenberg spins in quantum ferrimagnetic phases is field independent, but twice as strong if the Heisenberg spin arrangement is unique as it is two-fold degenerate.     

Fidelity Mechanics: Analogues of the Four Thermodynamic Laws and Landauer’s Principle

Fidelity mechanics is formalized as a framework for investigating critical phenomena in quantum many-body systems. Fidelity temperature is introduced for quantifying quantum fluctuations, which, together with fidelity entropy and fidelity internal energy, constitute three basic state functions in fidelity mechanics, thus enabling us to formulate analogues of the four thermodynamic laws and Landauer’s principle at zero temperature. Fidelity flows, which are irreversible, are defined and may be interpreted as an alternative form of renormalization group flows. Thus, fidelity mechanics offers a means to characterize both stable and unstable fixed points: divergent fidelity temperature for unstable fixed points and zero-fidelity temperature and (locally) maximal fidelity entropy for stable fixed points. In addition, fidelity entropy behaves differently at an unstable fixed point for topological phase transitions and at a stable fixed point for topological quantum states of matter. A detailed analysis of fidelity mechanical-state functions is presented for six fundamental models—the quantum spin-1/2 XY model, the transverse-field quantum Ising model in a longitudinal field, the quantum spin-1/2 XYZ model, the quantum spin-1/2 XXZ model in a magnetic field, the quantum spin-1 XYZ model, and the spin-1/2 Kitaev model on a honeycomb lattice for illustrative purposes. We also present an argument to justify why the thermodynamic, psychological/computational, and cosmological arrows of time should align with each other, with the psychological/computational arrow of time being singled out as a master arrow of time.     

Configuration Interaction and Many‐Body Perturbation Theory: Application to Scandium,Titanium, and Iodine

A number of atoms and ions with complex valence configurations are considered as candidates for atomic clocks with high sensitivity to the possible variation of the fine‐structure constant. Present level of the theory is not sufficient to predict frequencies of the clock transitions with accuracy, required for the experiment. Here an approach is tested, where the second‐order perturbation theory is used to iteratively saturate configuration space for valence electrons. On the examples of scandium, titanium, and iodine, it is demonstrated that this improves the efficiency of the CI+MBPT method for systems with strong configuration interaction and/or more than three valence electrons.     

Geometries,stabilities, and electronic properties analysis in In_nNi~((0,±1)) clusters: Molecular modeling and DFT calculations

Density functional theory(DFT) with the B3 LYP method and the SDD basis set is selected to investigate In_nNi,In_nNi~-, and In_nNi~+ (n = 1–14) clusters. For neutral and charged systems, several isomers and different multiplicities are studied with the aim to confirm the most stable structures. The structural evolution of neutral, cationic, and anionic In_nNi clusters, which favors the three-dimensional structures for n = 3–14. The main configurations of the In_nNi isomers are not affected by adding or removing an electron, the order of their stabilities is also nearly not affected. The obtained binding energy exhibits that the Ni-doped In_(13) cluster is the most stable species of all different sized clusters. The calculated fragmentation energy and the second-order energy difference as a function of the cluster size exhibit a pronounced even–odd alternation phenomenon. The electronic properties including energy gap(E_g), adiabatic electron affinity(AEA), vertical electron detachment energy(VDE), adiabatic ionization potential energy(AIP), and vertical ionization potential energy(VIP) are studied. The total magnetic moments show that the different magnetic moments depend on the number of the In atoms for charged In_nNi. Additionally, the natural population analysis of In_nNi~((0,±1)clusters is also discussed.     

Ab‐initio calculations and structural studies of (SiTe)2(Sb2Te3)n (n: 1, 2, 4 and 6) phase‐change superlattice films

(SiTe)₂(Sb₂Te₃)_n phase‐change superlattices were investigated theoretically and experimentally. Ab‐initio first principle simulations predicted that the (SiTe)₂(Sb₂Te₃)_n structures are stable and possess a Dirac semimetal‐like band structure. Calculation of the Z₂ invariant indicated that the structure was topologically nontrivial. (SiTe)₂(Sb₂Te₃)_n superlattice structures derived from first‐principles were successfully fabricated on a Si substrate by RF‐magnetron sputtering. XRD and TEM indicated that the superlattice films were highly oriented with the 00X planes of Sb₂Te₃ and the superlattice normal to the substrate surface. The (SiTe)₂(Sb₂Te₃)_n superlattice is suggested as new material system for interfacial phase‐change memory applications. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Binding sites for SiH2/Si(0 0 1): A combined ab initio, tight-binding, and classical investigation

Binding sites for SiH₂ on Si(0 0 1) are investigated theoretically by using several different methods. Possible local minima are first sampled by classical molecular dynamics simulations of the SiH₂/Si(0 0 1) impact, allowing for a preliminary, fast selection. A further refinement is carried out by geometry optimizations using semiempirical tight-binding and density functional theory calculations, based on both the local density and generalized gradient approximations. In most cases only minor morphological changes are obtained when comparing the ab initio sites with the classical potentials and tight-binding ones. The purely classical treatments here tested, however, overestimate the number of minima and fail in accurately reproducing the relative energy of some of the adsorption sites. Closer agreement is obtained with tight-binding, with the noticeable exception of the lowest ab initio minimum (on-dimer site).     

Resonant coupling in the van der Waals interaction between an excited alkali atom and a dielectric surface: an experimental study via stepwise selective reflection spectroscopy

We present a detailed experimental study of the evaluation of the van der Waals (vW) atom-surface interaction for high-lying excited states of alkali-metal atoms (Cs and Rb), notably when they couple resonantly with a surface-polariton mode of the neighbouring dielectric surface. This report extends our initial observation [Phys. Rev. Lett. 83, 5467 (1999)] of a vW repulsion between Cs(6D_3/2) and a sapphire surface. The experiment is based upon FM selective reflection spectroscopy, on a transition reaching a high-lying state from a resonance level, that has been thermally pumped by an initial one-photon step. Along with a strong vW repulsion fitted with a blue lineshift, -160±25 kHz μm³ for Cs(6D_3/2) in front of a sapphire surface (with a perpendicular c-axis), we demonstrate a weaker vW repulsion (-32±5 kHz μm³) for Cs(6D_3/2) in front of a YAG surface, as due to a similar resonant coupling at 12 μm between a virtual atomic emission (6D_3/2-7P_1/2) and the surface polariton modes. A resonant behaviour of Rb(6D_5/2) in front of a sapphire surface exists also because of analogous decay channels in the 12 μm range. Finally, one demonstrates that fused silica, nonresonant for a virtual transition in the 12 μm range and hence weakly attracting for Cs(6D_3/2), exhibits a resonant behaviour for Cs(9S_1/2) as due to its surface polariton resonance in the 8-9 μm range. The limiting factors that affect both the accuracy of the theoretical prediction, and that of the fitting method applied to the experimental data, are discussed in the conclusion. Received 16 January 2003 / Received in final form 25 March 2003 Published online 5 May 2003     

Experimental review of the ϒ(1S, 2S, 3S) physics at e+e− colliders and the LHC

The three lowest-lying \mathrm{\Upsilon } states, i.e., \mathrm{\Upsilon }(1S), \mathrm{\Upsilon }(2S), and \mathrm{\Upsilon }(3S), composed of bb¯ pairs and below the BB ¯ threshold, provide a good platform for the researches of hadronic physics and physics beyond the Standard Model. They can be produced directly in e⁺e⁻ colliding experiments, such as CLEO, Babar, and Belle, with low continuum backgrounds. In these experiments, many measurements of the exclusive \mathrm{\Upsilon }(1S) and \mathrm{\Upsilon }(2S) decays into light hadrons, which shed light on the “80% rule” for the Okubo–Zweig–Iizuka suppressed decays in the bottomonium sector, were carried out. Meanwhile, many studies of the charmonium and bottomonium productions in \mathrm{\Upsilon }(1S, 2S, 3S) decays were performed, to distinguish different Quantum Chromodynamics (QCD) models. Besides, exotic states and new physics were also extensively explored in \mathrm{\Upsilon }(1S, 2S, 3S) decays at CLEO, BaBar, and Belle. The \mathrm{\Upsilon }(1S, 2S, 3S) states can also be produced in pp collisions and in collisions involving heavy ions. The precision measurements of their cross sections and polarizations at the large hadron collider (LHC), especially in the CMS, ATLAS, and LHCb experiments, help to understandΥproduction mechanisms in pp collisions. The observation of the sequentialΥsuppression in heavy ion collisions at CMS, LHCb, and ALICE is of great importance for verifying the quark–gluon plasma predicted by QCD. In this article, we review the experimental results on \mathrm{\Upsilon }(1S, 2S, 3S) at e⁺e⁻ colliders and the LHC, and summarize their prospects at Belle II and the LHC.