Topological states in the Hofstadter model on a honeycomb lattice

We provide a detailed analysis of a topological structure of a fermion spectrum in the Hofstadter model with different hopping integrals along the $x,y,z$-links ($t_x=t,t_y=t_z=1$), defined on a honeycomb lattice. We have shown that the chiral gapless edge modes are described in the framework of the generalized Kitaev chain formalism, which makes it possible to calculate the Hall conductance of subbands for different filling and an arbitrary magnetic flux ϕ. At half-filling the gap in the center of the fermion spectrum opens for $t>t_c=2^{\varphi }$, a quantum phase transition in the 2D-topological insulator state is realized at $t_c$. The phase state is characterized by zero energy Majorana states localized at the boundaries. Taking into account the on-site Coulomb repulsion U (where $U<<1$), the criterion for the stability of a topological insulator state is calculated at $t<<1$, $t\sim U$. Thus, in the case of $U>4\mathrm{\Delta }$, the topological insulator state, which is determined by chiral gapless edge modes in the gap Δ, is destroyed.     

Asymptotic behavior of two-electron expectation values in two-electron excited states

Singly-excited states of the two-electron atom cease being bound when $Z\to 1$ (from above), the outer orbital becoming infinitely diffuse. The asymptotic relations$\underset{Z\to 1}{\lim }?{(Z?1)}^k〈{(1sns)}^{1,3}S\left|r_{12}^k\right|{(1sns)}^{1,3}S〉=〈(n?1)s^{(0)}\left|r^k\right|(n?1)s^{(0)}〉,$ where $k=?1,1,2,3,?$, are demonstrated to hold. Here, $(n?1)s^{(0)}$ is a hydrogenic s orbital with principal quantum number $(n?1)$. New, more nuanced light is shed on the already challenged dogma that the Pauli principle keeps the electrons further apart in the triplet than in the corresponding singlet.     

Theoretical study on UH4, UH8 and UH10 at high pressure

Stable structures of uranium hydrides at 0–550 GPa were studied using genetic algorithm (GA) combined with density functional theory calculations. We investigated two stoichiometries of U–H system, UH₄ and UH₁₀ at high pressure, and properties of UH₄, UH₈ and UH₁₀. The study found that UH₈ is the most stable phase at 100–550 GPa, UH₄ is a stable phase at 100–550 GPa, and UH₁₀ could become stable over 450 GPa. For UH₁₀, the most phase is $Fm\stackrel{￣}{3}m$, which was found to be a superconductor with the transition temperature $T_c=51,21,12,10$ and 15 K at 100, 200, 300, 400 and 550 GPa, respectively.     

New findings for two new type sine hyperbolic potentials

We propose two new type sine hyperbolic potentials $V(x)=a^2{\sinh }^2?(x)?k{\tanh }^2?(x)$ and $V(x)=c^2{\sinh }^4?(x)?k{\tanh }^2?(x)$. They may become single- or double-well potentials depending on the potential parameters $a,c$ and k. We find that its exact solutions can be written as the confluent Heun functions $H_c(\alpha ,\beta ,\gamma ,\delta ,\eta ;z)$, in which the energy level E is involved inside the parameter η. The properties of the wave functions, which is strongly relevant for the potential parameters $a,c$ and k, are illustrated.     

Composition law for the Cole-Cole relaxation and ensuing evolution equations

Physically natural assumption says that any relaxation process taking place in the time interval $[t_0,t_2]$, $t_2>t_0\ge 0$ may be represented as a composition of processes taking place during time intervals $[t_0,t_1]$ and $[t_1,t_2]$ where $t_1$ is an arbitrary instant of time such that $t_0\le t_1\le t_2$. For the Debye relaxation such a composition is realized by usual multiplication which claim is not valid any longer for more advanced models of relaxation processes. We investigate the composition law required to be satisfied by the Cole-Cole relaxation and find its explicit form given by an integro-differential relation playing the role of the time evolution equation. The latter leads to differential equations involving fractional derivatives, either of the Caputo or the Riemann-Liouville senses, which are equivalent to the special case of the fractional Fokker-Planck equation satisfied by the Mittag-Leffler function known to describe the Cole-Cole relaxation in the time domain.     

The investigation of structural,electronic, elastic and thermodynamic properties of Gd1−xYxAuPb alloys: A first principle study

First principle calculations have been employed to investigate the effects of Y concentration, pressure and temperature on various properties of ${\mathrm{Gd}}_{1?x}{\mathrm{Y}}_x\mathrm{AuPb}$ ($x=0,0.25,0.5,0.75,1$) alloys using density functional theory (DFT). The full potential linearized augmented plane wave (FP-LAPW) method within a framework of the generalized gradient approximation (GGA) is used to perform the calculated results of this paper. Phase stability of ${\mathrm{Gd}}_{1?x}{\mathrm{Y}}_x\mathrm{AuPb}$ alloys is studied using the total energy versus unit cell volume calculations. The equilibrium lattice parameters of these alloys are in good agreement with the available experimental results. The mechanical stability of ${\mathrm{Gd}}_{1?x}{\mathrm{Y}}_x\mathrm{AuPb}$ alloys is proved using elastic constants calculations. Also, the influence of Y concentration on elastic properties of ${\mathrm{Gd}}_{1?x}{\mathrm{Y}}_x\mathrm{AuPb}$ alloys such as Young's modulus, shear modulus, Poisson's ratio and anisotropy factor are investigated and analyzed. By considering both Pugh's ratio and Poisson's ratio, the ductility and brittleness of these alloys are studied. In addition, the total density of states and orbital's hybridizations of different atoms are investigated and discussed. Moreover, the effect of pressure and temperature on some important thermodynamic properties is investigated.     

Moment of inertia of superconductors

We find that the bulk moment of inertia per unit volume of a metal becoming superconducting increases by the amount $m_e/(\pi r_c)$, with $m_e$ the bare electron mass and $r_c=e^2/m_e{c}^2$ the classical electron radius. This is because superfluid electrons acquire an intrinsic moment of inertia $m_e{(2{\lambda }_L)}^2$, with ${\lambda }_L$ the London penetration depth. As a consequence, we predict that when a rotating long cylinder becomes superconducting its angular velocity does not change, contrary to the prediction of conventional BCS-London theory that it will rotate faster. We explain the dynamics of magnetic field generation when a rotating normal metal becomes superconducting.     

Thermodynamic calculation of spin scaling functions

Critical phenomena theory centers on the scaled thermodynamic potential per spin $?(\beta ,h)=|t{|}^{p}Y(h|t{|}^{?q})$, with inverse temperature $\beta =1/T$, $h=?\beta H$, ordering field H, reduced temperature $t=t(\beta )$, critical exponents p and q, and function $Y(z)$ of $z=h|t{|}^{?q}$. I discuss calculating $Y(z)$ with the information geometry of thermodynamics. Scaled solutions are found to obtain with three admissible functions $t(\beta )$: 1) $t=e^{?J\beta }$, 2) $t={\beta }^{?1}$, and 3) $t={\beta }_C?\beta$, where J and ${\beta }_C$ are constants. For $p=q$, information geometry yields $Y(z)=\sqrt{1+z^2}$, consistent with the one-dimensional (1D) ferromagnetic Ising model.     

Pressure controllable phase transition in MoTe2 by the interlayer band occupancy

High pressure can effectively control the phase transition of MoTe₂ in experiment, but the mechanism is still unclear. In this work, we show by first-principles calculations that the phase transition is suppressed and $1T^{\prime }$ phase becomes more stable under high pressure, which originates from the pressure-induced change of the interlayer band occupancies near the Fermi energy. Specifically, the interlayer states of $1T^{\prime }$ phase tend to be fully occupied under high pressure, while they keep partially occupied for the $T_d$ phase. The increase of the band occupancies makes the $1T^{\prime }$ phase more favorable in energy and prevents the structure changing from $1T^{\prime }$ to $T_d$ phase. Moreover, we also analyze the superconductivity under high pressure based on BCS theory by calculating the density of states and phonon spectra. Our results may shed some light on understanding the relationship between the interlayer band occupancy and crystal stability of MoTe₂ under high pressures.     

Resonance studies using the contour deformation method in the complex momentum plane

A contour deformation method (CDM) in the complex momentum plane has been successfully extended and implemented to probe resonances in atomic and molecular systems. Specifically, solution of the Schrödinger equation is performed in momentum space with momentum deformed on a contour in the complex plane. The bound, resonant, and complex continuum states could be directly revealed from the eigenvalues of the Schrödinger equation in the complex momentum plane. The calculations of shape resonances in electron scattering with Na⁺ in Debye plasmas (one channel), and in the charge transfer process ${\mathrm{H}}^{?}(1s^2)+\mathrm{Li}(1s^{2}2s)$ ($1^2{\Sigma }^{+}$) $\to \mathrm{H}(1s)+{\mathrm{Li}}^{?}(1s^{2}2s^2)$ ($2^2{\Sigma }^{+}$) (coupled channels) are given as illustrative examples. It is shown that calculated results from CDM agree very well with those extracted from the eigenphase sum of scattering theories. The effectiveness of CDM is also demonstrated by comparing its results with those obtained by the complex rotation scaling and exterior complex scaling methods. The convergence of CDM results can be obtained by increasing the momentum integration region and the number of integration points. The studied examples demonstrate that CDM could be a powerful tool for studies of resonances in complex atomic and molecular systems.     

Time-periodic quantum states of weakly interacting bosons in a harmonic trap

We consider quantum bosons with contact interactions at the Lowest Landau Level (LLL) of a two-dimensional isotropic harmonic trap. At linear order in the coupling parameter g, we construct a large, explicit family of quantum states with energies of the form $E_0+g{E}_1/4+O(g^2)$, where $E_0$ and $E_1$ are integers. Any superposition of these states evolves periodically with a period of $8\pi /g$ until, at much longer time scales of order $1/g^2$, corrections to the energies of order $g^2$ may become relevant. These quantum states provide a counterpart to the known time-periodic behaviors of the corresponding classical (mean field) theory.     

Electronic vacuum charge for an overcritical nucleus

A “cut-off” Coulomb potential taking into account the finite size of the nucleus is finite, and a solution of the Dirac equation can be constructed for any energy, both positive and negative. In the paper we develop an exact solution of the Dirac equation for a fixed value of the total momentum j for the whole spectrum of energies, which allows us to determine the vacuum charge and its spatial distribution. We consider nuclei with different charges Z, both $Z<Z_c$ and $Z>Z_c$, where $Z=Z_c$ is the “critical” charge, at which the energy of the lowest discrete state reaches the boundary of the lower continuum $\epsilon =?m{c}^2$. Polarization of vacuum is determined, and the vacuum charge for several values of Z is found. For an undercritical nuclear charge, $Z<Z_c$, the total vacuum charge appears to be zero, while for $Z>Z_c$, the vacuum gets rearranged, and the total vacuum charge becomes equal to $?2e$. The vacuum charge distribution for $j=1/2$ for both undercritical and overcritical nuclei is calculated.