The thermodynamic functions of ferroelectric and paraelectric SbSI

A first-principle method is used to calculate phonon density of states, Helmholtz free energy, internal energy, and entropy for ferroelectric and paraelectric SbSI. Theoretical phase transition temperature was obtained using the difference of the Helmholtz free energy, internal energy, and entropy term between ferroelectric and paraelectric phases on temperature. The obtained value is in reasonable agreement with the experimental second-order phase transition temperature T_c2 = 233 K.     

Crystalline order in superfluid (3)He films

We predict an inhomogeneous phase of superfluid (3)He films in which translational symmetry is spontaneously broken in the plane of the film. This phase is energetically favored over a range of film thicknesses, D(c2)(T) < D < D(c1)(T), separating distinct homogeneous superfluid phases. The instability at the critical film thickness, D(c2) approximately 9 xi (T), is a single-mode instability generating striped phase order in the film. Numerical calculations of the order parameter and free energy indicate a second-order instability to a periodic lattice of degenerate B-like phases separated by domain walls at D(c1) approximately 13 xi (T).     

Temperature effects on superfluid phase transition in Bose–Hubbard model with three-body interaction

We theoretically investigate the effect of the three-body on-site interactions on the Mott-insulator–superfluid transition for ultracold bosonic atoms in the framework of the Bose–Hubbard model. In particular, we explore the combined effects of three-body interaction and finite temperature on the phase diagram in detail. In order to handle system with strong local interactions a resolvent expansion technique based on the contour integral representation of the partition function has been devised. Subsequently, we derive the Landau-type expansion for the free energy in terms of the superfluid order parameter and find the phase diagrams depicting the relationships between various physical quantities of interest.     

接枝聚合物对小分子的选择性吸附研究

文章应用密度泛函理论研究接枝于壁面的方阱链对二元小分子混合物的选择性吸附特性. 系统的Helmholtz剩余自由能泛函被表示为硬球排斥和方阱吸引两部分贡献之和,分别由硬球链流体状态方程和变阱宽方阱链流体状态方程的简单加权密度近似来进行计算. 用此理论方法,分别考察了接枝聚合物的结构性质,以及不同温度下接枝分子层对二元方阱流体的选择性吸附性能. 结果表明:分子刷厚度随接枝密度线性增长而随温度非线性增加,并且在高温下趋于饱和;在较低温度下,接枝聚合物刷能表现出很好的选择性吸附能力,当聚合物刷被加热到高于饱和温度时,该能力将大幅度地减弱. 关键词： 密度泛函理论 接枝聚合物 选择性吸附 方阱链     

Superfluidity in a doped helium droplet

Path-integral Monte Carlo calculations of the superfluid density throughout 4He droplets doped with linear impurities are presented. After deriving a local estimator for the superfluid density distribution, we find a decreased superfluid response in the cylindrically symmetric region of the first solvation layer. The helium in this region has a superfluid transition temperature similar to that of a two-dimensional helium system and may be responsible for previously unexplained experimental Q-branch measurements.     

The thermodynamic functions of SbSBr crystal

Using density functional theory methods, the phonon density of states, Helmholtz free energy, internal energy, and entropy of ferroelectric and paraelectric phases are investigated. The temperature dependence of the free energy indicates that vibrational entropy contributes to the destabilization of the ferroelectric phase. The vibrational entropy of Sb, S, and Br atoms is attributed to the stabilization of ferroelectric SbSBr at the temperature T _c. Calculations indicated that SbSBr in ferroelectric phase become more stable than in paraelectric phase at temperatures lower than 22.8 K. The calculated temperature of ferroelectric phase transition is in good agreement with the experimental data.     

三重态双极化子的超导A相与B相

本文应用对称破缺的自洽Hartree近似讨论了三重态双极化子的超导A相和B相。在弱耦合的情况下,通过自由能的计算得到B相总比A相稳定;在强耦合的情况下,加入涨落反馈项可使得A相的自由能比B相的自由能低,或者发生A相到B相的转变,这和³He超流的情形类似。本文还精确计算了超导稳定相的热力学临界场H_c随温度的变化,并与重费密子超导体UBe₁₃,UPt₃和URi₂Si₂的上临界场作了比较,发现H_c能定性解释所有这些超导体的上临界场的反常温度特性。 关键词：     

Thermodynamic properties of the XXZ double chain with long-range interactions

Using the Jordan-Wigner transformation and cut-off approximation, the Letter studies the one-dimensional spin-1/2 XXZ double chain with z-directional uniform long-range interactions in the external magnetic field. Thermodynamic properties as the Helmholtz free energy, internal energy, specific heat and magnetization of the system are obtained. The first and second-order phase transition of the system at a finite temperature are also given. Our results agree with those of the other literatures.     

The surface of liquid4He at nonzero temperatures

We outline a general approach to microscopic evaluation of the properties of strongly interacting, spatially inhomogeneous Bose systems at finite temperatures. A minimum principle for the Helmholtz free energy is used together with an appropriate trial density matrix to generalize the correlated variational wave function theory that has proven so successful in the treatment of the ground states and elementary excitations of quantum fluids at zero temperature. Euler-Lagrange equations are obtained that determine the optimal structure through the one-and two-body densities and the optimal density fluctuation operators and energies characterizing the elementary excitations. Some results of an application of this correlated density matrix theory to the⁴He liquid-vapor interface are presented, with particular focus on the characterization of resonant vapor modes.     

The superfluidd transition temperature of a Fermi liquid: 3He and 3He4He mixtures

The superfluid transitions temperature is calculated from the microscopic theory of a Fermi liquid in terms of the Landau parameters and one unknown scale factor. Determining the latter from the observed transition in ³He leads to an estimate that the superfluid transition in ³He⁴He mixtures may be presently observable.     

Phenomenological phase diagram of superfluid 3He in a stretched aerogel

Highly anisotropic “nematically ordered” aerogel induces global uniaxial anisotropy in superfluid ³He. The anisotropy lowers symmetry of 3He in the aerogel from spherical to axial. As a result, instead of one transition temperature in a state with an orbital moment l = 1, there are two, corresponding to projections l _z = 0 and l _z = ±1. This splitting has a pronounced effect on the phase diagram of superfluid ³He and on the structures of the appearing phases. Possible phase diagrams obtained phenomenologically on the basis of Landau expansion of the thermodynamic potential in the vicinity of the transition temperature are presented here. The order parameters corresponding to each phase and their temperature dependences are found.     

Casimir forces, surface fluctuations, and thinning of superfluid film

Recent experiments on the wetting of 4He have shown that the film becomes thinner at the lambda transition and in the superfluid phase. The difference in thickness above and below the transition has been attributed to a Casimir interaction which is a consequence of a broken continuous symmetry in the bulk superfluid. However, the observed thinning of the film is larger than can be accounted by this Casimir force. We show that surface fluctuations give rise to an additional force, similar in form but larger in magnitude, which may explain the observations.     

NMR on superfluid<Superscript>3</Superscript>He in aerogel

The transition to superfluidity of³He in high porosity (98.2%) acrogel has been observed by nuclear magnetic resonance techniques. The onset of the transition at all pressures above 13 bar is marked by a sharp increase in NMR frequency similar to that observed in bulk³He-A. This suggests that the aerogel/superfluid phase is highly homogeneous although both the transition temperature, T_c, and the amplitude of the order parameter are substantially suppressed. The acrogel strands are ≈ 50Å in diameter, much smaller than the superfluid coherence length. Consequently, we have attempted to interpret our observations as an impurity scattering problem. Based on our measurements of the magnetic field dependence of T_c it appears that both magnetic and potential scattering play important roles where the magnetic scattering can be associated with solid³He on the aerogel surface. This is determined by isotopic exchange with⁴He, a process which appears to stabilize a new superfluid state similar to the bulk B-phase.     

Correlation between superfluid density and T(C) of underdoped YBa2Cu3O6+x near the superconductor-insulator transition

We report measurements of the ab-plane superfluid density n(s) (magnetic penetration depth lambda) of heavily underdoped films of YBa2Cu3O6+x, with T(C)'s from 6 to 50 K. We find the characteristic length for vortex unbinding transition equal to the film thickness, suggesting strongly coupled CuO2 layers. At the lowest dopings, T(C) is as much as 5 times larger than the upper limit set by the 2D Kosterlitz-Thouless-Berezinskii transition temperature calculated for individual CuO2 bilayers. Our main finding is that T(C) is not proportional to n(s)(0); instead, we find T(C) proportional to ns(1/2.3+/-0.4). This conflicts with a popular point of view that quasi-2D thermal phase fluctuations determine the transition temperature.     

Topology of a <Superscript>3</Superscript>He-A Film on a Corrugated Graphene Substrate

A thin film of superfluid ³He on a corrugated graphene substrate represents topological matter with a smooth disorder. It is possible that the atomically smooth disorder produced by the corrugated graphene does not destroy the superfluidity even in a very thin film, where the system can be considered as quasi two-dimensional topological material. This will allow us to study the effect of disorder on different classes of the 2 + 1 topological materials: the chiral ³He-A with intrinsic quantum Hall effect and the time reversal invariant planar phase with intrinsic spin quantum Hall effect. In the limit of smooth disorder, the system can be considered as a Chern mosaic, i.e., a collection of domains with different values of Chern numbers. In this limit, the quantization of the Hall conductance is determined by the percolated domain, while the density of the fermionic states is determined by the edge modes on the boundaries of the finite domains. This system can be useful for the general consideration of disorder in the topological matter.     

Landau theory of phase transitions in thick films

A simple expression is used for the free energy density with a one-component order parameter, and the boundary conditions at the surfaces of a film of thickness L are given by means of an extrapolation length δ. Exact expressions are given for the critical temperature and the order parameter profile in terms of elliptic functions, and the nature of the phase transition is discussed.     

Spin-spin correlation effect on the thermodynamic properties of the polarized liquid 3He at finite temperature

We have used the lowest order constrained variational (LOCV) method to calculate some thermodynamic properties of the polarized liquid ³He at finite temperature with the spin-dependent correlation function. For each value of the temperature and density we have shown that the main contribution to the potential energy comes from the spin-triplet state. For the polarized liquid ³He, we have seen that the differences between the thermodynamic properties of the spin-dependent and the spin-independent cases decrease by increasing both polarization and temperature. For all relevant temperatures and densities, our results do not show any ferromagnetic phase transition.     

Intermediate-temperature superfluidity in an atomic fermi gas with population imbalance

We derive the underlying finite temperature theory which describes Fermi gas superfluidity with population imbalance in a homogeneous system. We compute the pair formation temperature, superfluid transition temperature Tc, and superfluid density in a manner consistent with the standard ground state equations and, thereby, present a complete phase diagram. Finite temperature stabilizes superfluidity, as manifested by two solutions for Tc or by low T instabilities. At unitarity, the polarized state is an "intermediate-temperature superfluid."