Exact Calculation of Antiferromagnetic Ising Model on an Inhomogeneous Surface Recursive Lattice to Investigate Thermodynamics and Glass Transition on Surface/Thin Film

An inhomogeneous 2-dimensional recursive lattice formed by planar elements has been designed to investigate the thermodynamics of Ising spin system on the surface/thin film. The lattice is constructed as a hybrid of partial Husimi square lattice representing the bulk and 1D single bonds representing the surface. Exact calculations can be achieved with the recursive property of the lattice. The model has an anti-ferromagnetic interaction to give rise to an ordered phase identified as crystal, and a solution with higher energy to represent the amorphous/metastable phase.Free energy and entropy of the ideal crystal and supercooled liquid state of the model on the surface are calculated by the partial partition function. By analyzing the free energies and entropies of the crystal and supercooled liquid state,we are able to identify the melting and ideal glass transition on the surface. The results show that due to the variation of coordination number, the transition temperatures on the surface decrease significantly compared to the bulk system.Our calculation qualitatively agrees with both experimental and simulation works on the thermodynamics of surfaces and thin films conducted by others. Interactions between particles farther than the nearest neighbor distance are taken into consideration, and their effects are investigated.     

RNA-like model on the Husimi lattice

We investigate a two-tolerant polymer model on the square Husimi lattice, aiming to describe RNA-like properties. We solve the model in a numerically exact manner, working out the grand-canonical phase diagram. In the dilute solution (single molecule) limit, the system exhibits three qualitatively different behaviors: a swollen (coil) state at high temperatures, a moderately collapsed (molten) state at intermediate temperatures, and an almost fully paired (“native”) state at low temperatures.     

一簇金刚石晶格上S~4模型的相变

采用重整化群和累积展开的方法,研究了一簇金刚石晶格上S~4模型的相变,求得了系统的临界点.结果表明:当分支数m=2和m 12时,该系统只存在一个Gauss不动点K~*=b_2/2, u_2~*=0;当分支数3≤m≤12时,该系统不仅有Gauss不动点,还存在一个Wilson-Fisher不动点,并且后一个不动点对系统的临界特性产生决定性的影响.     

Fisher zeros on the Husimi lattice

Fisher zeros for the partition function with respect to a temperature-dependent parameter are studied. The Ising approximation for Heisenberg model with two- and three-site exchange interactions on the Husimi lattice was used. This model approximates the third layer of ³He, absorbed on the surface of graphite (kagome lattice). Using dynamic approach, we have found an exact recursion relation for the partition function. The presence of a phase transition, both in the real and complex regions on the temperature plane was shown.     

Asymmetric phase diagram and coverage dependent effective pair interactions for hydrogen on close-packed metal surfaces

The asymmetry in the phase diagram of the H/Ru(001) system is studied by assuming a lattice gas model for the chemisorbed hydrogen and using the cluster variation method. Ground state analysis of the ordered structures shows that the effective pair interaction for the next-nearest neighbors has to be repulsive. We also found that the order-disorder transition temperatures and hence the phase diagram are very sensitive to v₃, the ratio of the effective next-nearest to nearest neighbor interactions of H adatoms. The asymmetry in the phase diagram, which cannot be accounted for by the adsorbate relaxation model by Persson [Surf. Sci. 258 (1991) 451], is attributed to the coverage dependence of the effective pair interactions. By assuming a simple piecewise linear dependence of v₃ on the chemical potential, we constructed an asymmetric phase diagram which is in excellent agreement with the experimental data. The model studied can be applied to the H/Pd(111) system directly and can be easily generalized for other close-packed metal surfaces.     

Superfluid-Mott-Insulator Phase Transition of Bosons in an Optical Lattice

The Bose-Hubbard model describing interacting bosons in an optical lattice is reduced to a simple spin-1 XY model with single-ion anisotropy in the vicinity of the Mort phase. We propose a mean-field theory based on a constraint SU（3） pseudo-boson representation on the effective model to study the properties of the superfluid-Mott-insulator phase transition. By calculating the elementary excitation spectra and the average particle number tluctuation in the Brillouin zone center, we lind that the energy gaps vanish continuously around （JXY/Jz）c≈ 0.175 and （JxY/Jz）c ≈ 0.094 for 2D and 3D cubic lattices respectively, where the superfluid order parameters come up from zero and the Mort insulator state changes into a superfluid state.     

Superfluid to Mott-insulator transition in a one-dimensional optical lattice

Bose-Einstein condensates (BEC) of sodium atoms are transferred into one-dimensional (1D) optical lattice potentials, formed by two laser beams with a wavelength of 1064 nm, in a shallow optical trap. The phase coherence of the condensate in the lattice potential is studied by changing the lattice depth. A qualitative change in behavior of the BEC is observed at a lattice depth of ～ 13.7 E_r, where the quantum gas undergoes a transition from a superfluid state to a state that lacks well-to-well phase coherence.     

Husimi Function of Excited Squeezed Vacuum State

The q-p phase-space distribution function is a popular tool to study semiclassical physics and to describe the quantum aspects of a system. In this paper by using the pure state density operator formula of the Husimi operator Δ_h(q,p;κ)=|p,q〉_κκ〈p,q| we deduce the Husimi function of the excited squeezed vacuum state. Then we study the behavior of Husimi distribution graphically.     

Ca$lt;sub$gt;0.64$lt;/sub$gt;WO$lt;sub$gt;4$lt;/sub$gt;:Eu$lt;sub$gt;0.24$lt;/sub$gt;陶瓷的高温相变机理及其对发光性能的影响

纯的CaWO₄具有优异的耐压、耐热稳定性,化学组成为Ca_0.64WO₄:Eu_0.24的陶瓷也具有CaWO₄结构,但Ca²⁺晶格位置含有12 mol%的肖特基缺陷. 这种缺陷浓度高的CaWO₄ 相是否具有良好的高温稳定性还有待研究. 本文探讨了过度烧结对Ca_0.64WO₄:Eu_0.24陶瓷相结构的影响,揭示了在高温下产生相变的可能原因,并研究了该相变对材料发光性能的影响. 研究表明,当烧结温度超过1100 ℃时,被肖特基缺陷束缚的部分氧离子会解离,造成Ca_0.64WO₄:Eu_0.24陶瓷体相中氧元素含量严重不足,诱发CaWO₄相发生相变,析出单斜晶系的Eu₂WO₆;研究还发现,CaWO₄相的晶面间距在高温相变后会增大;这可能是导致Ca_0.64WO₄:Eu_0.24陶瓷发光强度显著降低的一个重要原因. 关键词： 相变 钨酸钙 铕 发光     

Topological Fulde–Ferrell and Larkin–Ovchinnikov states in spin-orbit-coupled lattice system

The spin-orbit coupled lattice system under Zeeman fields provides an ideal platform to realize exotic pairing states. Notable examples range from the topological superfluid/superconducting (tSC) state, which is gapped in the bulk but metallic at the edge, to the Fulde–Ferrell (FF) state (having a phase-modulated order parameter with a uniform amplitude) and the Larkin–Ovchinnikov (LO) state (having a spatially varying order parameter amplitude). Here, we show that the topological FF state with Chern number (C=−1) (tFF₁) and topological LO state with C= 2 (tLO₂) can be stabilized in Rashba spin-orbit coupled lattice systems in the presence of both in-plane and out-of-plane Zeeman fields. Besides the inhomogeneous tSC states, in the presence of a weak in-plane Zeeman field, two topological BCS phases may emerge with C=−1 (tBCS₁) far from half filling and C= 2 (tBCS₂) near half filling. We show intriguing effects such as different spatial profiles of order parameters for FF and LO states, the topological evolution among inhomogeneous tSC states, and different non-trivial Chern numbers for the tFF₁ and tLO_1,2 states, which are peculiar to the lattice system. Global phase diagrams for various topological phases are presented for both half-filling and doped cases. The edge states as well as local density of states spectra are calculated for tSC states in a 2D strip.     

Kinetic Phase Transition in A2 ＋ 2B2 → 2B2A Reaction System with Particle Diffusion

A lattice gas model is presented for the A2 ＋2B2 → 2B2A reaction system with particle diffusion in two dimensions. In the model, B2 dissociates in the random dimer-filling mechanism and A2 dissociates in the end-on dimer filling mechanism. A reactive window appears and the system exhibits a continuous phase transition from a reactive state to a ＂B ＋ vacancy＂ covered state with infinitely many absorbing states. When the diffusion of particle B is considered, there are only two absorbing states. It is found that the critical behavior of the continuous phase transition changes from the directed percolation （DP） class to the pair contact process with diffusion （PCPD） class.     

Rashba自旋轨道耦合下square-octagon晶格的拓扑相变

本文研究了各向同性square-octagon晶格在内禀自旋轨道耦合、Rashba自旋轨道耦合和交换场作用下的拓扑相变,同时引入陈数和自旋陈数对系统进行拓扑分类.系统在自旋轨道耦合和交换场的影响下会出现许多拓扑非平庸态,包括时间反演对称破缺的量子自旋霍尔态和量子反常霍尔态.特别的是,在时间反演对称破缺的量子自旋霍尔效应中,无能隙螺旋边缘态依然能够完好存在.调节交换场或者填充因子的大小会导致系统发生从时间反演对称破缺的量子自旋霍尔态到自旋过滤的量子反常霍尔态的拓扑相变.边缘态能谱和自旋谱的性质与陈数和自旋陈数的拓扑刻画完全一致.这些研究成果为自旋量子操控提供了一个有趣的途径.     

Pr掺杂DyFeO3体系的自旋重取向相变、晶格畸变与Raman光谱研究

利用固相反应法制备了Dy_1-xPr_xFeO₃系列化合物. X射线粉末衍射晶体结构分析表明, 随着Pr掺杂量x的增加, 样品晶胞体积逐渐增大, 晶格畸变减弱. Raman光谱测量表明稀土离子有效质量[m_eff=xm_Pr+(1-x)m_Dy] 与晶格结构的变化共同导致该体系Raman光谱的变化. 随Pr掺杂量的增加, 波数小于200 cm^-1的振动模式基本保持不变, 而波数大于200 cm^-1的振动模式(除420 cm^-1处的B_3u模式外)向低频移动. 磁测量结果表明, 由Dzyaloshinsky-Moriya 相互作用导致的宏观磁性随Pr掺杂量增加逐渐减弱. 稀土离子与铁离子磁晶格的耦合作用以及晶格结构畸变的变化共同导致该体系自旋重取向相变温度在一定的掺杂量 (x=0.3)前后先升高后降低. 关键词： 稀土铁氧体 自旋重取向 晶体结构 Raman光谱     

The Ising Model on Pure Husimi Lattices: A General Formulation and the Critical Temperatures

We consider the Ising spin 1/2 model on arbitrary pure Husimi lattices. An effective representation for the recursion relations is found which allows to write the general solution of the model in an fluent unified way for all pure Husimi lattices. In this respect, explicit expressions for the spontaneous magnetization, for the susceptibility, for the free energy, and for the specific heat are found. Besides, it is shown that this representation allows also to determine exactly the position of the critical temperature on arbitrary pure Husimi lattice. It is found that the critical temperatures for all pure Husimi lattices are driven by a single polynomial equation with coefficients given by parameters that uniquely describe the lattices.     

Ga含量对Mn2-xNiGa1+x结构和磁性的影响

系统研究了铁磁性形状记忆合金Mn_{2 -x}NiGa_1+x的结构、磁性和有序化转变. 研究表明: 随着Ga含量的增加, Mn_{2 -x}NiGa_1+x的母相结构由Hg₂CuTi 型逐渐转变到Cu₂MnAl型Heusler结构. 母相的晶格常数先增加后降低, 当x=0.3时达到最大值. 0.3 ≤x ≤0.8时, 材料除呈现Heusler结构的主相之外, 还出现了Ni₂In型六角相. 过渡金属中3d电子之间交换相互作用的减弱, 导致Mn_2-xNiGa_1+x主相的居里温度由Mn₂NiGa的590 K逐渐降低至Ga₂MnNi的220 K左右; 当x=0.6–0.8时, Ni₂In型六角相的居里温度与主相的居里温度出现分离. Ga对Mn的替代引起合金中原子间耦合作用的变化, 导致低温下Mn_{2 -x}NiGa_1+x的饱和磁化强度先增加后降低, 即x≤0.4时呈上升趋势, x>0.4时急剧下降. 差热分析结果显示, 随着x从0增加到1, 样品熔化温度逐渐降低, B2相到Heusler相的转变温度先降低后增加.     

LuTaO$lt;sub$gt;4$lt;/sub$gt;相变及结构

LuTaO₄是最高密度的闪烁体基质, 研究它的结构及其相变对单晶制备具有指导意义. 用固相法制备了Lu₂O₃和Ta₂O₅摩尔比为1:1时在不同温度下形成的多晶粉末, 用X射线衍射及Rietveld全谱拟合研究了多晶粉末的物相和结构. 结果表明, Lu₂O₃: Ta₂O₅摩尔比为1:1的样品在1740 ℃时合成的物相为M'-LuTaO₄, 在1800 ℃时为M'-LuTaO₄和M-LuTaO₄的混合物, 在1840 ℃时全部转变为M-LuTaO₄. 当温度升高到2058 ℃时, 样品呈熔融状态, 对淬火得到的样品进行结构精修, 给出了M-LuTaO₄, Lu₃TaO₇和Ta₂O₅的晶胞和原子坐标参数, 它们的重量比分别占78.1%, 18.9%和3.0%. 这些结果为制备以LuTaO₄为基质的高密度闪烁体单晶具有参考价值. 关键词： 4')" href="#">LuTaO₄ 相变 粉末衍射 Rietveld精修     

Composition Dependence of Electrocaloric Effect in (1-x)Pb(Mg1/3Nb2/3)O3-xPbTiO3 Single Crystals

Composition dependence of electrocaloric effect is investigated in (1-x)Pb(Mg_1/3Nb_2/3)O_3-xPbTiO₃ single crystals by using an eighth-order Landau—Devonshire theory. The applied electric field along [001] direction reduces the ferroelectric-ferroelectric phase transition temperatures, but increases the Curie temperatures. The electrocaloric coefficients of tetragonal phase are much larger than that of rhombohedral and monoclinic phase. A negative electrocaloric effect is observed near the M_C-T phase transition in 0.69 Pb(Mg_1/3Nb_2/3)O₃-0.31 PbTiO₃ single crystal. The application of a strong enough electric field results in a high adiabatic temperature change over a broad range of temperature. Therefore, it would be useful to construct a solid state cooling cycle over a broad temperature range for practical applications.     

镁-锌时效合金中一维过渡相β′2的晶体学研究

采用X射线衍射方法,显示出镁-5Wt％锌合金在165℃时效初期有两种过渡相β′₁和β′₂共存。对细杆状过渡相,β′₂的一维衍射现象进行了详细分析。这种过渡相具有六角点阵结构,其[0001]轴是杆的长轴,它的点阵常数及与母相间的取向关系经测定为:a_(β′2)=13.2?,c_(β′2)=5.25?,[0001]_{(β′2)关键词：}     

Study of the ferroelectric–paraelectric phase transition of NaH3(SeO3)2 single crystals by H and Na NMR

The ¹H and ²³Na spin–lattice and spin–spin relaxation times of NaH₃(SeO₃)₂ single crystals grown using the slow-evaporation method were measured as functions of temperature and frequency in the ferroelectric and paraelectric phases. The changes in the symmetry of the (SeO₃)²⁻ dimers as a result of the ferroelectric–paraelectric phase transition are associated with large changes in the spin–lattice and spin–spin relaxation times, and in the number of resonance lines. The large changes in the relaxation times at 195 K indicate that the H and Na ions are significantly affected by this transition. The change in the number of resonance lines for the ¹H and ²³Na nuclei means that the orientations of the (SeO₃)²⁻ dimers and the environments of the Na ions change at T_C. Therefore, the orientations of the (SeO₃)²⁻ dimers and the environments of the Na ions play important roles in the phase transitions. In conclusion, the ferroelectric–paraelectric phase transition of NaH₃(SeO₃)₂ is accompanied by changes in hydrogen-bond structure and distortions of the (SeO₃)²⁻ and Na⁺ ion lattices, which form a slightly distorted octahedron.