Thermodynamic behaviour of Rashba quantum dot in the presence of magnetic field

The thermodynamic properties of an In Sb quantum dot have been investigated in the presence of Rashba spin–orbit interaction and a static magnetic field. The energy spectrum and wave-functions for the system are obtained by solving the Schrodinger wave-equation analytically. These energy levels are employed to calculate the specific heat, entropy,magnetization and susceptibility of the quantum dot system using canonical formalism. It is observed that the system is susceptible to maximum heat absorption at a particular value of magnetic field which depends on the Rashba coupling parameter as well as the temperature. The variation of specific heat shows a Schottky-like anomaly in the low temperature limit and rapidly converges to the value of 2kB with the further increase in temperature. The entropy of the quantum dot is found to be inversely proportional to the magnetic field but has a direct variation with temperature. The substantial effect of Rashba spin–orbit interaction on the magnetic properties of quantum dot is observed at low values of magnetic field and temperature.     

Method for measuring prompt γ-rays generated by D-T neutrons bombarding a depleted uranium spherical shell

The prompt γ-ray spectrum from depleted uranium(DU) spherical shells induced by 14 Me V D-T neutrons is measured. Monte Carlo(MC) simulation gives the largest prompt γ flux with the optimal thickness of the DU spherical shells 3–5 cm and the optimal frequency of neutron pulse 1 MHz. The method of time of flight and pulse shape coincidence with energy(DC-TOF) is proposed, and the subtraction of the background γ-rays discussed in detail. The electron recoil spectrum and time spectrum of the prompt γ-rays are obtained based on a 2 ×2 BC501 A liquid scintillator detector. The energy spectrum and time spectrum of prompt γ-rays are obtained based on an iterative unfolding method that can remove the influence of γ-rays response matrix and pulsed neutron shape.The measured time spectrum and the calculated results are roughly consistent with each other. Experimental promptγ-ray spectrum in the 0.4–3 Me V energy region agrees well with MC simulation based on the ENDF/BVI.5 library,and the discrepancies for the integral quantities of γ-rays of energy 0.4–1 Me V and 1–3 Me V are 9.2% and 1.1%,respectively.     

Seeing Dirac electrons and heavy fermions in new boron nitride monolayers

Most three-dimensional(3D) and two-dimensional(2D) boron nitride(BN) structures are wide-band-gap insulators.Here, we propose two BN monolayers having Dirac points and flat bands, respectively. One monolayer is named as 5–7 BN that consists of five-and seven-membered rings. The other is a Kagome BN made of triangular boron rings and nitrogen dimers. The two structures show not only good dynamic and thermodynamic stabilities but also novel electronic properties.The 5–7 BN has Dirac points on the Fermi level, indicating that the structure is a typical Dirac material. The Kagome BN has double flat bands just below the Fermi level, and thus there are heavy fermions in the structure. The flat-band-induced ferromagnetism is also revealed. We analyze the origination of the band structures by partial density of states and projection of orbitals. In addition, a possible route to experimentally grow the two structures on some suitable substrates such as the PbO_2(111) surface and the Cd O(111) surface is also discussed, respectively. Our research not only extends understanding on the electronic properties of BN structures, but also may expand the applications of BN materials in 2D electronic devices.     

Analytic equation of state for solids with multi-exponential potential based on analytic mean field potential approach and applied to the epsilon phase of solid oxygen

The thermodynamic properties of the ε phase of solid oxygen are studied by using the analytic mean field approach （AMFP）. Analytic expressions for the Helmholtz free energy, internal energy and equation of state of solid oxygen have been derived based on the multi-exponential potential. The formulism for the case of double-exponential （DE） model is applied to the ε phase of solid oxygen. Its four potential parameters are determined through fitting the experimental compression data of the ε phase of solid oxygen. Numerical results of the pressure dependence of the volume calculated by using the AMFP are in good agreement with the original experimental data. This suggests that the AMFP is a useful approach to study the thermodynamic properties of the ε phase of solid oxygen. Furthermore, we predict the variation of the volume, lattice parameters and intermolecular distances with pressure, and some thermodynamic quantities versus volume, at several higher temperatures.     

Metastability in the Spin-1 Blume–Emery–Griffiths Model within Constant Coupling Approximation

In this paper, the equilibrium properties of spin-1 Blume–Emery–Griffiths model are studied by using constant-coupling approximation. The dipolar and quadrupolar order parameters, the stable, metastable and unstable states and free energy of the model are investigated. The states are defined in terms of local minima of the free energy of system. The numerical calculations are presented for several values of exchange interactions on the simple cubic lattice with q = 6.     

Effects of Al component content on optoelectronic properties of Al_xGa_(1-x)N

Using density functional theory, the electronic structures, lattice constants, formation energies, and optical properties of Al_xGa_(1-x)N are determined with Al component content x in a range from 0 to 1. As x increases, the lattice constants decrease in e-exponential form, and the band gap increases with a band bending parameter b=0.3954. The N–Al interaction force in the(0001) direction is greater than the N–Ga interaction force, while the N–Al interaction force is less than the N–Ga interaction force in the(10ī0) direction. The formation energies under different Al component content are negative and increase with Al component content increasing. The static dielectric function decreases, the absorption edge has a blue shift, and the energy loss spectrum moves to high energy with the Al component content increasing.     

Magnetizations and magneto-transport properties of Ni-doped PrFeO_3 thin films

The present study reports the magnetizations and magneto-transport properties of PrFe1-xNixO3 thin films grown by pulsed laser ablation technique on LaAlO3substrates. From DC M/H plots of these films, weak ferromagnetism or ferrimagnetism behaviors are observed. With Ni substitution, reduction in saturation magnetization is also seen. With Ni doping, variations in saturation field(Hs), coercive field(Hc), Weiss temperature(θ), and effective magnetic moment(peff)are seen. A small change of magnetoresitance with application of higher field is observed. Various essential parameters like density of state(Nf) at Fermi level, Mott's characteristic temperature(T0), and activation energy(Ea) in the presence of and in the absence of magnetic field are calculated. The present observed magnetic properties are related to the change of Fe–O bond length(causing an overlap between the oxygen p orbital and iron d orbital) and the deviation of the Fe–O–Fe angle from 180?. Reduction of magnetic domain after Ni doping is also explored to explain the present observed magnetic behavior of the system. The influence of doping on various transport properties in these thin films indicates a distortion in the lattice structure and single particle band width, owing to stress-induced reduction in unit cell volume.     

Hybrid density functional study on lattice vibration,thermodynamic properties,and chemical bonding of plutonium monocarbide

Hybrid density functional theory is employed to systematically investigate the structural,magnetic,vibrational,thermodynamic properties of plutonium monocarbide(Pu C and Pu C_(0.75)).For comparison,the results obtained by DFT,DFT + U are also given.For Pu C and Pu C_(0.75),Fock-0.25 hybrid functional gives the best lattice constants and predicts the correct ground states of antiferromagnetic(AFM) structure.The calculated phonon spectra suggest that Pu C and Pu C_(0.75) are dynamically stable.Values of the Helmholtz free energy ?F,internal energy ?E,entropy S,and constant-volume specific heat C_v of Pu C and Pu C_(0.75) are given.The results are in good agreement with available experimental or theoretical data.As for the chemical bonding nature,the difference charge densities,the partial densities of states and the Bader charge analysis suggest that the Pu–C bonds of Pu C and Pu C_(0.75) have a mixture of covalent character and ionic character.The effect of carbon vacancy on the chemical bonding is also discussed in detail.We expect that our study can provide some useful reference for further experimental research on the phonon density of states,thermodynamic properties of the plutonium monocarbide.     

Probing the Energy Spectrum in the Vicinity of Dirac Points with Landau–Zener Transition

Recently a new type of experiment, i.e., Bloch oscillations of ultracold atoms in honeycomb optical potential,realized Landau–Zener transition in the vicinity of Dirac point in 2D optical lattice. We show that the slope of Dirac cone is related to the transition probability of Landau–Zener transition. Therefore, it provides a new tool to directly detect the energy spectrum in the vicinity of Dirac point. Moreover, we numerically demonstrate that our scheme is feasible and effective in a large range of the parameter of anisotropy.     

A continuum thermal stress theory for crystals based on interatomic potentials

This paper presents a new continuum thermal stress theory for crystals based on interatomic potentials.The effect of finite temperature is taken into account via a harmonic model.An EAM potential for copper is adopted in this paper and verified by computing the effect of the temperature on the specific heat,coefficient of thermal expansion and lattice constant.Then we calculate the elastic constants of copper at finite temperature.The calculation results are in good agreement with experimental data.The thermal stress theory is applied to an anisotropic crystal graphite,in which the Brenner potential is employed.Temperature dependence of the thermodynamic properties,lattice constants and thermal strains for graphite is calculated.The calculation results are also in good agreement with experimental data.     

Green’s function approach to the low temperature properties of Cs<Subscript>2</Subscript>CuCl<Subscript>4</Subscript>: anisotropy effects

We have studied the effect of both axial and transverse anisotropy on the critical field and thermodynamic properties of the field induced three dimensional antiferromagnetic Heisenberg model on the frustrated hexagonal lattice for Cs₂CuCl₄ compound. The spin model is mapped to a bosonic one with the hard core repulsion constraint and the Green’s function approach has been implemented to get the low energy spectrum and the corresponding thermodynamic properties. To find the critical field (B _c ) we have looked for the Bose-Einstein condensation of quasi-particles (magnons) which takes place when the magnon spectrum vanishes at the ordering spiral wave vector. We have also obtained the dispersion of magnon spectrum in the critical magnetic field for each anisotropy parameter to find the spiral wave vector where the spectrum gets its minimum. The magnon energies show a linear dispersion relation close to the quantum critical point. The effect of hard core boson interaction on the single particle excitation energies leads to a temperature dependence of the magnon spectrum versus magnetic field. We have also studied the behavior of specific heat and static structure factor versus temperature and magnetic field.     

Eigen spectra and wave functions of the massless Dirac fermions under the nonuniform magnetic fields in graphene

In this research, firstly, by using the new form of Dirac-Weyl equation and the series method with submitting more suitable details, the energy spectrum and wave functions of the massless Dirac fermions are calculated under the inhomogeneous and q-deformed spatially magnetic fields. Although, we discussed about the results of the energy levels, further, we obtained the wave function as the Hessenberg determinant with calculating the elements of it as exact. On the other hand, by using the Mellin-Barnes integral representation and Hurwitz zeta function, we have achieved the thermodynamic physical quantities of the Dirac-Weyl fermions in the absence of a magnetic field for inside of the graphene quantum dot. Finally, our numerical results for the wave functions and probability densities are presented too.     

Boundary Hamiltonian Theory for Gapped Topological Orders

We report our systematic construction of the lattice Hamiltonian model of topological orders on open surfaces,with explicit boundary terms. We do this mainly for the Levin-Wen string-net model. The full Hamiltonian in our approach yields a topologically protected, gapped energy spectrum, with the corresponding wave functions robust under topology-preserving transformations of the lattice of the system. We explicitly present the wavefunctions of the ground states and boundary elementary excitations. The creation and hopping operators of boundary quasi-particles are constructed. It is found that given a bulk topological order, the gapped boundary conditions are classified by Frobenius algebras in its input data. Emergent topological properties of the ground states and boundary excitations are characterized by(bi-) modules over Frobenius algebras.     

Effects of quantum gravity on the inflationary parameters and thermodynamics of the early universe

The effects of generalized uncertainty principle (GUP) on the inflationary dynamics and the thermodynamics of the early universe are studied. Using the GUP approach, the tensorial and scalar density fluctuations in the inflation era are evaluated and compared with the standard case. We find a good agreement with the Wilkinson Microwave Anisotropy Probe data. Assuming that a quantum gas of scalar particles is confined within a thin layer near the apparent horizon of the Friedmann-Lemaitre-Robertson-Walker universe which satisfies the boundary condition, the number and entropy densities and the free energy arising form the quantum states are calculated using the GUP approach. A qualitative estimation for effects of the quantum gravity on all these thermodynamic quantities is introduced.     

Effects of the Fluctuations on Thermodynamic Properties of the Mixed Valence Compounds

Based on the SU(Nd) Anderson lattice mode1 in the slave boson formalism, westudy the effect of fluctuations around the saddle-point approximation on the thermodynamic properties for mixed valence lattice systems. The fluctuation component of slave boson field is explicitly introduced and its interactions with electrons are studied. By using the Green's function technique we obtain modified self-consistent equations of mean-field parameters and free energy. The fluctuation correction to the pseudophase transition temperature is obtained, and the validity of the mean-field approximation is examined. In the limit of low energy and small moment um transfer, a fluctuation correction to the specific heat proportional to T3 lnT at low temperature is extracted. The chemical potential shift is also studied. In order to describe the thermodynamic properties correctly, it is important to determine the chemical potential shift properly.     

Pb-Sn合金及Pb的热力学性质的第一性原理计算

本文基于第一性原理的密度泛函理论(DFT)和密度泛函微扰理论(DFPT)方法,利用虚晶近似的计算方法研究了Pb-Sn合金的晶格结构、电子能带、声子能带及热力学性质,并用晶格能量差可与达到熔化温度时的振动能量相当的固-液相变机理研究了熔化温度,同时与所计算Pb的所有结果进行了对比.     

Quantized Energy Spectrum and Modified Andreev Bound States of a Superconductor with Generalized Uncertainty Principle

The effect of a minimal uncertainty in position or momentum measurement on a superconductor system is investigated. The Bogoliubov-de Gennes equations for the quasiparticle states in a linear potential are solved exactly, where the position and momenta are assumed to obey the modified commutation relations. It is found that the quantized energy spectrum of the superconductor could be induced by generalized uncertainty principle (GUP) directly. We also discuss the GUP-corrected Andreev bound states and supercurrent in a SNS structure. The results imply that the GUP effect in superconductor systems could be testable under present experimental condition.     

First-principles calculations of structural stability,elastic, dynamical and thermodynamic properties of SiGe,SiSn, GeSn

A first-principles calculations, based on the norm-conserving pseudopotentials and the density functional theory (DFT) and the density functional perturbation theory (DFPT) as implemented in the ABINIT code, have been performed to investigate the structural stability, elastic, lattice dynamic and thermodynamic properties of the ordered SiGe, SiSn and GeSn cubic alloy in zinc-blende (B3) structure. The calculated lattice parameters and bulk modulus agree with the previous results. The second-order elastic constants have been calculated and other related quantities such as the Young’s modulus, shear modulus, anisotropy factor are also estimated. We also obtain the data of lattice dynamics and the temperature dependent properties currently lacking for SiGe, SiSn and GeSn. Findings are also presented for the temperature-dependent behaviors of some thermodynamic properties such as the internal energy, Helmholtz free energy, entropy and heat capacity.     

First order in the plaquette expansion

The plaquette expansion, a general non-perturbative method for calculating the properties of lattice Hamiltonian systems, is analytically investigated at the first non-trivial order for an arbitrary system. At this level the approximation describes systems with either a bounded or an unbounded spectrum, depending on simple inequalities formed from the first four cumulants. The analysis yields analytic forms for the ground state energy, mass gaps and density of states in the thermodynamic limit. An exact form for the resolvent oeprator is given for a finite number of sites, as well as the asymptotic form in the thermodynamic limit.     

A higher order GUP with minimal length uncertainty and maximal momentum II: Applications

In a recent paper, we presented a nonperturbative higher order Generalized Uncertainty Principle (GUP) that is consistent with various proposals of quantum gravity such as string theory, loop quantum gravity, doubly special relativity, and predicts both a minimal length uncertainty and a maximal observable momentum. In this Letter, we find exact maximally localized states and present a formally self-adjoint and naturally perturbative representation of this modified algebra. Then we extend this GUP to D dimensions that will be shown it is noncommutative and find invariant density of states. We show that the presence of the maximal momentum results in upper bounds on the energy spectrum of the free particle and the particle in box. Moreover, this form of GUP modifies blackbody radiation spectrum at high frequencies and predicts a finite cosmological constant. Although it does not solve the cosmological constant problem, it gives a better estimation with respect to the presence of just the minimal length.