Mean-field dynamics of a non-Hermitian Bose-Hubbard dimer

We investigate an N-particle Bose-Hubbard dimer with an additional effective decay term in one of the sites. A mean-field approximation for this non-Hermitian many-particle system is derived, based on a coherent state approximation. The resulting nonlinear, non-Hermitian two-level dynamics, in particular, the fixed point structures showing characteristic modifications of the self-trapping transition, are analyzed. The mean-field dynamics is found to be in reasonable agreement with the full many-particle evolution.     

Pair superfluidity of three-body constrained bosons in two dimensions

We examine the equilibrium properties of lattice bosons with attractive on-site interactions in the presence of a three-body hard-core constraint that stabilizes the system against collapse and gives rise to a dimer superfluid phase. Employing quantum Monte Carlo simulations, the ground state phase diagram of this system on the square lattice is analyzed. In particular, we study the quantum phase transition between the atomic and dimer superfluid regime and analyze the nature of the superfluid-insulator transitions. Evidence is provided for the existence of a tricritical point along the saturation transition line, where the transition changes from being first order to a continuous transition of the dilute Bose gas of holes. The Berzinskii-Kosterlitz-Thouless transition from the dimer superfluid to the normal fluid is found to be consistent with an anomalous stiffness jump, as expected from the unbinding of half-vortices.     

Primary processes of laser-induced selective dimer-layer removal on Si(001)-(2x1)

Excitation with nanosecond-laser pulses at fluences well below the melt threshold removes Si dimers on the Si(001)-(2x1) surface and induces atomic-Si desorption through an electronic mechanism. The rate of this photoinduced reaction depends superlinearly on the excitation intensity, and is enhanced resonantly at the photon energy where the optical transition injects holes into the dimer backbond surface-band state. The results reveal the crucial role of surface holes and their nonlinear localization in the bond rupture of Si dimers on this surface.     

SU(2)-invariant continuum theory for an unconventional phase transition in a three-dimensional classical dimer model

We derive a continuum theory for the phase transition in a classical dimer model on the cubic lattice, observed in recent Monte Carlo simulations. Our derivation relies on the mapping from a three-dimensional classical problem to a two-dimensional quantum problem, by which the dimer model is related to a model of hard-core bosons on the kagome lattice. The dimer-ordering transition becomes a superfluid-Mott insulator quantum phase transition at fractional filling, described by an SU(2)-invariant continuum theory.     

Gauge theory picture of an ordering transition in a dimer model

We study a phase transition in a 3D lattice gauge theory, a "coarse-grained" version of a classical dimer model. Duality arguments indicate that the dimer lattice theory should be dual to a XY model coupled to a gauge field with geometric frustration. The transition between a Coulomb phase with dipolar correlations and a long range ordered columnar phase is understood in terms of a Higgs mechanism. Monte Carlo simulations of the dual model indicate a continuous transition with exponents close but apparently different from those of the 3D XY model. The continuous nature of the transition is confirmed by a flowgram analysis.     

Environment assisted energy transfer in dimer system

The influence of collective and multilocal environments on the energy transfer between the levels of a dimer is studied. The dynamics of energy transfer are investigated by considering coupling of collective environment with the levels of the dimer in the presence of both two individuals and mutually correlated multilocal environments. It is shown that every way of coupling we consider assists, though differently, the probability of transition between the levels of dimer. The probability of transition is strongly enhanced when the two local environments are mutually correlated.     

Zero-temperature Kosterlitz-Thouless transition in a two-dimensional quantum system

We construct a local interacting quantum dimer model on the square lattice, whose zero-temperature phase diagram is characterized by a line of critical points separating two ordered phases of the valence bond crystal type. On one side, the line of critical points terminates in a quantum transition inherited from a Kosterlitz-Thouless transition in an associated classical model. We also discuss the effect of a longer-range dimer interaction that can be used to suppress the line of critical points by gradually shrinking it to a single point. Finally, we propose a way to generalize the quantum Hamiltonian to a dilute dimer model in presence of monomers and we qualitatively discuss the phase diagram.     

Phase transition from asymmetric to symmetric dimer structure on the Si(001) surface at high temperature

The dimer configurations on the Si(001) surface at high temperatures have been investigated using the rocking curve of reflection high-energy electron diffraction. The Si(001) surface shows a displacive phase transition around 900 K, where a well-known asymmetric (tilted) dimer structure on the Si(001) at room temperature transforms to a symmetric dimer structure around 900 K. The metallic feature of the Si(001) surface above 900 K can be explained by the phase transition.     

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.     

Decoherence-assisted transport in a dimer system

The dynamics of a dimer coupled to two different environments, each in a spin star configuration under the influence of decoherence, is studied. The exact analytical expression for the transition probability in the dimer system is obtained for different situations, i.e., independent and correlated environments. In all cases considered, it is shown that there exist well-defined ranges of parameters for which decoherent interaction with the environment assists energy transfer in the dimer system. In particular, we find that correlated environments can assist energy transfer more efficiently than separate baths.     

表面催化反应模型中关联噪声诱导非平衡相变

建立含有关联噪声的双分子-单分子(DM)表面催化反应延迟反馈模型,该模型能同时显示一级和二级非平衡动力学相变,即在一级和二级非平衡动力学相变之间的反应窗口展现.讨论双分子在DM延迟反馈模型中两种吸附机制,即局域和随机吸附模型.研究结果表明:1)外部噪声及两噪声关联性致使反应窗口的宽度收缩;2)内部噪声对非平衡动力学相变行为的影响依赖两噪声关联性,即当两噪声负关联,内部噪声致使反应窗口的宽度变宽;而当两噪声正关联时,内部噪声致使反应窗口的宽度收缩;3)关联噪声致使反应窗口变化对DM模型中一级和二级非平衡动力学相变研究具有重要的科学意义.     

Effect of separation on second-order hyperpolarizability of two silver nanoclusters

We present a study on dielectric response of Ag₁₄ nanocluster dimer using first principles methods. The interaction energy, (hyper)polarizability of dimer are predicted under various separations of the two identical Ag₁₄ nanoclusters. The appropriate separation makes the second-order hyperpolarizability of Ag₁₄ dimer is about 70 times larger than the Ag₁₄ monomer. The increase of polarizability and hyperpolarizability is ascribed to reconfiguration of molecular electronic state from Ag cluster monomer to dimer. Nonlinear response is more susceptible to the steady intermediate state compared to linear response. The crucial transitions contributed to hyperpolarizability are assigned to be from highest occupied molecular orbitals to the lowest unoccupied molecular orbital (HOMOs-LUMO) of nanocluster dimer. Binding character of LUMO plays an important role in determining nonlinear optical properties.     

Properties of Universal Bosonic Tetramers

The system of four identical bosons is studied using momentum–space equations for the four-particle transition operators. Positions, widths and existence limits of universal unstable tetramers are determined with high accuracy. Their effect on the atom–trimer and dimer–dimer scattering observables is discussed. We show that a universal shallow tetramer intersects the atom–trimer threshold twice leading to resonant effects in ultracold atom–trimer collisions.     

One-colour resonant two-photon ionization spectrum of the 1-fluoronaphthalene dimer and ab initio calculation

The one-colour resonant two-photon ionization(R2PI) spectrum of the 1-fluoronaphthalene(1FN) dimer has been studied in the wavelength range of 304 to 322 nm by using a supersonic molecular beam and time-of-flight mass spectrometry.Compared with the original band 00(at 313.8 nm) of the S1 ← S0 transition of the 1FN monomer,a red-shifted band was observed in the 1FN dimer spectrum at about 315 nm with a relatively large linewidth,nearly 2 nm.Based on the consideration of inductive effect and ab initio calculations,this red-shifted band is assigned to the first electronic excited transition of the 1FN dimer.A possible geometric structure of the 1FN dimer is also obtained with calculations that the two 1FN molecules are combined through two hydrogen bonds which are formed between the hydrogen atom of a molecule and the fluorine atom of a neighbouring molecule.A time-dependent calculation was also carried out and the results are consistent with the experimental data.     

Theory of hydrogen vibrations on transition metal surfaces

The site dependence of the vibration frequency, normal to the surface, of a neutrally adsorbed atom such as hydrogen on a transition metal surface is studied. The vibration frequency in the atop position is compared with the value in the metal-atom dimer. The bond length at the surface is found to be greater than in the dimer and to increase with increasing number of nearest neighbours. For strong bonding, the vibration frequency in the atop position is close to that in the dimer, and a comparison of the adsorbate vibration spectrum with that of molecular systems is justified. For weak binding the vibration frequencies are strongly shifted from the values of the dimer and such a comparison is not valid. In this limit the model of Froitzheim et al. is found to apply. A simple relation between the adsorption energy and vibration frequency is given. Bond relaxation is found to be very important in determining the vibration characteristics of adsorbed species.     

Relative stabilities and the spectral signatures of stacked and hydrogen-bonded dimers of serotonin

The O–H???N hydrogen-bonded dimer of serotonin is shown to be more stable than the stacked dimer in its ground electronic state, by using the Møller–Plesset second-order perturbation theory (MP2) and the 6–31g^** basis set. The vertical excitation energy for the lowest π?→?π* transition for the monomer as well as the dimer is predicted by time-dependent density functional theory. The experimentally observed red shift of excitation wavelength on oligomerisation is explained in terms of the change in the HOMO–LUMO energy gap due to complex formation. The impact of dimer formation on the proton magnetic resonance spectrum of serotonin monomer is also examined.     

用Z-扫描技术研究卟啉铜偶合TiO2/SiO2有机-无机材料的非线性吸收特性

应用溶胶-凝胶技术, 成功地把5,10,15,20-四(4-磺酸苯基)卟啉铜掺杂到SiO₂/TiO₂无机凝胶中, 制备成有机-无机复合材料. 采用开孔Z-扫描技术, 使用波长532 nm、脉宽7ns的YAG脉冲激光为光源, 测定了不同浓度卟啉铜掺杂的SiO₂/TiO₂凝胶Z-扫描曲线. 应用Z扫描理论对获得的曲线进行分析与理论拟合, 得到复合材料的非线性吸收系数. 这些非线性吸收是由材料中卟啉铜的单聚体与二聚体的反饱和吸收所引起. 研究表明, 随着掺杂浓度的增大, 复合材料的非线性吸收明显增强. 掺杂浓度为1.11×10^-4 (A2), 1.48×10^-4 (A3)与3.01×10^-4 mol/L (A4)凝胶的非线性吸收系数分别为1.705×10^-11, 1.892×10^-11和4.854×10^-11 m/W. 讨论了单聚体与二聚体的浓度变化对非线性吸收的影响. 随着掺杂浓度的增加, 凝胶中二聚体与多聚体含量的增加, 导致非线性吸收系数的增大. 同时测定了无机材料对该光源的抗激光损伤阈值为～5 J/cm².