Thermodynamic properties of rhodium at high temperature and pressure by using mean field potential approach

The thermophysical properties of rhodium are studied up to melting temperature by incorporating anharmonic effects due to lattice ions and thermally excited electrons. In order to account anharmonic effects due to lattice vibrations, we have employed mean field potential (MFP) approach and for thermally excited electrons Mermin functional. The local form of the pseudopotential with only one effective adjustable parameter r_c is used to construct MFP and hence vibrational free energy due to ions – F_ion. We have studied equation of state at 300 K and further, to access the applicability of present conjunction scheme, we have also estimated shock-Hugoniot and temperature along principle Hugoniot. We have carried out the study of temperature variation of several thermophysical properties like thermal expansion (β_P), enthalpy (E_H), specific heats at constant pressure and volume (C_P and C_V), specific heats due to lattice ions and thermally excited electrons (C_V^ion and C_V^el, isothermal and adiabatic bulk moduli (B_T and B_s) and thermodynamic Gruneisen parameter (γ_th) in order to examine the inclusion of anharmonic effects in the present study. The computed results are compared with available experimental results measured by using different methods and previously obtained theoretical results using different theoretical philosophy. Our computed results are in good agreement with experimental findings and for some physical quantities better or comparable with other theoretical results. We conclude that local form of the pseudopotential used accounts s-p-d hybridization properly and found to be transferable at extreme environment without changing the values of the parameter. Thus, even the behavior of transition metals having complexity in electronic structure can be well understood with local pseudopotential without any modification in the potential at extreme environment. Looking to the success of present scheme (MFP + pseudopotential) we would like to extend it further for the study of liquid state properties as well as thermophysical properties of d and f block metals.     

Electronic band structure and x-ray spectra of boron nitride polytypes

The electronic band structures of boron nitride crystal modifications of the graphite (h-BN), wurtzite (w-BN), and sphalerite (c-BN) types are calculated using the local coherent potential method in the cluster muffin-tin approximation within the framework of the multiple scattering theory. The specific features of the electronic band structure of 2H, 4H, and 3C boron nitride polytypes are compared with those of experimental x-ray photoelectron, x-ray emission, and K x-ray absorption spectra of boron and nitrogen. The features of the experimental x-ray spectra of boron nitride in different crystal modifications are interpreted. It is demonstrated that the short-wavelength peak revealed in the total densities of states (TDOS) in the boron nitride polytypes under consideration can be assigned to the so-called outer collective band formed by 2p electrons of boron and nitrogen atoms. The inference is made that the decrease observed in the band gap when changing over from wurtzite and sphalerite to hexagonal boron nitride is associated with the change in the coordination number of the components, which, in turn, leads to a change in the energy location of the conduction band bottom in the crystal.     

Various Quantum Correlations in Two-Qubit Two-Axis Spin Squeezing Model in Thermal Equilibrium under an External Magnetic Field

This paper investigates the influence of the spin squeezing parameter γ, the external magnetic field B and the temperature T on the concurrence (C), the quantum discord (QD), and the geometric quantum discord (GQD) in the two-qubit two-axis spin squeezing model in thermal equilibrium under an external magnetic field. The results show that the spin squeezing parameter γ has a positive effect on all three correlations. When the system is in the ground state, the external magnetic field B has a weakening effect on the three types of quantum correlations. Particularly, the spin squeezing parameter can be used to alleviate the destructive effect of the magnetic field on the geometric quantum discord. At a relatively high temperature, the externally applied magnetic field B helps enhance the quantum discord (QD). Further, the quantum discord is more robust than concurrence, and thus is more suitable for use as a quantum resource in information processing.     

The Precision of Parameter Estimation for Dephasing Model Under Squeezed Reservoir

We study the precision of parameter estimation for dephasing model under squeezed environment. We analytically calculate the dephasing factor γ(t) and obtain the analytic quantum Fisher information (QFI) for the amplitude parameter α and the phase parameter ?. It is shown that the QFI for the amplitude parameter α is invariant in the whole process, while the QFI for the phase parameter ? strongly depends on the reservoir squeezing. It is shown that the QFI can be enhanced for appropriate squeeze parameters r and θ. Finally, we also investigate the effects of temperature on the QFI.     

Zum Dipolmoment zweiatomiger Moleküle

The Stark effect of a rotating anharmonic oscillator is calculated including terms up to 10^?7 relative accuracy for comparison with recent high precision experiments. A series expansion is used for the internuclear potential and the instantaneous dipole moment as a function ofr, the nuclear distance. The measurable effects are

1. 1.
   the change of the dipole moment with the vibrational quantum numberv up to terms proportional to (v + 1/2)²;     
   
   

Magnetic-field-induced quantum criticality in a spin-<Emphasis Type="Italic">S</Emphasis> planar ferromagnet with single-ion anisotropy

The effects of single-ion anisotropy on quantum criticality in a d-dimensional spin-S planar ferromagnet is explored by means of the two-time Green’s function method. We work at the Tyablikov decoupling level for exchange interactions and the Anderson-Callen decoupling level for single-ion anisotropy. In our analysis a longitudinal external magnetic field is used as the non-thermal control parameter and the phase diagram and the quantum critical properties are established for suitable values of the single-ion anisotropy parameter D. We find that the single-ion anisotropy has sensible effects on the structure of the phase diagram close to the quantum critical point. However, for values of the uniaxial crystal-field parameter below a positive threshold, the conventional magnetic-field-induced quantum critical scenario remains unchanged.     

Quantum Discord Behaviors in Two Qubits Spin Squeezing Model with Intrinsic Decoherence

By taking into account the intrinsic decoherence and the external magnetic field, quantum discord(QD) behaviors in two-qubit spin squeezing model are investigated in detail. It is found that the magnitude of quantum discord is strongly dependent on the initial states, the squeezing interaction μ, the magnetic field Ω and the purity r of initial states. With t → ∞, one can obtain the steady quantum discord (SQD) value, the environmental decoherence cannot entirely destroy the quantum correlation. Based on the analysis of the SQD, the conditions about the existence of SQD are obtained with different initial states. Varying the parameters μ, Ω and r not only can weaken the effects of decoherence but also can improve the magnitude of QD and SQD. The effects of the parameters μ and Ω on the QD and SQD display so different and complicated features that one cannot get an uniform law about them, while the values of QD and SQD are improved with increasing r. Properly tuning the parameters μ, Ω and r, one can obtain a larger value of QD or SQD.     

Photo- and cathodoluminescence of cubic boron nitride micropowders activated by Tm,Tb, and Eu rare-earth ions

This work is devoted to the production of cubic boron nitride (c-BN) micropowders that are activated by ions of rare-earth elements, such as europium (Eu), terbium (Tb), and thulium (Tm), as well as to the study of the structural properties and photo- and cathodoluminescence of these micropowders. The micropowders have been synthesized from a hexagonal boron nitride powder in the presence of a catalyst under pressures of 4–6 GPa at temperatures of 1800–1900 K. The activation of the micropowders by the rareearth elements (REEs) has been carried out by introducing the corresponding REE compounds into synthesis precursor. The efficiency of the introduction of an impurity into the c-BN lattice is ~5%. The composition and structure of the samples have been examined using X-ray diffraction analysis, scanning electron microscopy, and energy-dispersive spectrometry. The results obtained during studying c-BN, c-BN:Tm, c-BN:Tb, and c-BN:Eu micropowders using color cathodoluminescence clearly demonstrate their ability to emit light in the wide spectral range, which is of interest for developing new light-emitting devices that are intended for operation in corrosive ambient. An analysis of the photoluminescence spectra of c-BN:REE micropowders has made it possible to find that the observed spectral bands belong to the corresponding transitions between the energy levels of the REEs, as well as to determine the probable positions of Tb³⁺ and Eu³⁺ ions in the cubic boron nitride lattice.     

<Emphasis Type="Italic">SU</Emphasis>(2|1) supersymmetric mechanics as a deformation of <Emphasis Type="Italic">N</Emphasis> = 4 mechanics

We give a brief review of SU(2|1) supersymmetric quantum mechanics based on the worldline realizations of the supergroup SU(2|1) in the appropriate N = 4, d = 1 superspaces. The corresponding SU(2|1) models are deformations of standard N = 4, d = 1 models by a mass parameter m.     

Quantification of Quantum Entanglement in a Multiparticle System of Two-Level Atoms Interacting with a Squeezed Vacuum State of the Radiation Field

We quantify multiparticle quantum entanglement in a system of N two-level atoms interacting with a squeezed vacuum state of the electromagnetic field. We calculate the amount of quantum entanglement present among one hundred such two-level atoms and also show the variation of that entanglement with the radiation field parameter. We show the continuous variation of the amount of quantum entanglement as we continuously increase the number of atoms from N = 2 to N = 100. We also discuss that the multiparticle correlations among the N two-level atoms are made up of all possible bipartite correlations among the N atoms.     

Optimal Synthesis of the Joint Unitary Evolutions

Joint unitary operations play a central role in quantum communication and computation. We give a quantum circuit for implementing a type of unconstructed useful joint unitary evolutions in terms of controlled-NOT (CNOT) gates and single-qubit rotations. Our synthesis is optimal and possible in experiment. Two CNOT gates and seven R _x , R _y or R _z rotations are required for our synthesis, and the arbitrary parameter contained in the evolutions can be controlled by local Hamiltonian or external fields.     

Control of Quantum Echo and Bell State Swapping of Two Atomic Qubits in the Two-Mode Vacuum Field Environment

We investigate quantum echo control and Bell state swapping for two atomic qubits (TAQs) coupling to two-mode vacuum cavity field (TMVCF) environment via two-photon resonance. We discuss the effect of initial entanglement factor ?? and relative coupling strength R=g₁/g₂ on quantum state fidelity of TAQs, and analyze the relation between three kinds of quantum entanglement(C(ρ_a),C(ρ_f),S(ρ_a)) and quantum state fidelity, then reveal physical essence of quantum echo of TAQs. It is shown that in the identical coupling case R=1, periodic quantum echo of TAQs with π cycle is always produced, and the value of fidelity can be controlled by choosing appropriate ?? and atom-filed interaction time. In the non-identical coupling case R≠1, quantum echoes with periods of π, 2π and 4π can be formed respectively by adjusting R. The characteristics of quantum echo results from the non-Markovianity of TMVCF environment, and then we propose Bell state swapping scheme between TAQs and two-mode cavity field.     

Generation of dislocation loops in strained quantum dots embedded in a heterolayer

The generation of prismatic dislocation loops in strained quantum dots is investigated. The quantum dots are embedded in a film-substrate heterostructure with mechanical stresses caused by the difference between the lattice parameters of the film (heterolayer) and the substrate. The intrinsic plastic strain ?_m of a quantum dot arises from the misfit between the lattice parameters of the materials of the quantum dot and the surrounding matrix. The interface between the heterolayer and the substrate is characterized by a misfit parameter f. The critical radius of a quantum dot R _c at which the generation of a dislocation loop in the quantum dot becomes energetically favorable is analyzed as a function of the intrinsic plastic strain ?_m and the misfit parameter f.     

Molecular dynamics calculations of anharmonic properties of the vibrational spectrum of BCC zirconium under pressure

The structural stability and lattice dynamics of the high-pressure bcc phase of Zr at a constant temperature T = 500 K are studied for various volumes using molecular dynamics simulation with the Animalu pair pseudopotential. Dispersion curves of the vibrational spectrum calculated by the molecular dynamics method for various volumes are compared to the phonon spectrum obtained in the harmonic approximation. It is demonstrated that, as the volume decreases, all frequencies of the vibrational spectrum increase gradually and bcc zirconium remains strongly anharmonic along all high-symmetry directions of the Brillouin zone over the entire range of volumes studied. The strongly anharmonic N _T1 phonon is significantly softened near the point of structural instability of bcc-Zr at T = 500 K and V = 0.87V ₀. As the volume decreases to V = 0.73V ₀ under pressure, the anharmonic corrections for this phonon decrease by almost an order of magnitude and the phonons near the H point of the Brillouin zone become anharmonic. The damping of the T ₁ phonon mode along the [110] direction is calculated as a function of pressure.     

Noncompact <Emphasis Type="Italic">u</Emphasis><Subscript>q</Subscript>(2, 1) quantum algebra: Discrete series of highest weight irreducible representations

The structure of unitary irreducible representations of the noncompact u_q(2, 1) quantum algebra that are related to a negative discrete series is examined. With the aid of projection operators for the su_q(2) subalgebra, a q analog of the Gelfand-Graev formulas is derived in the basis corresponding to the reduction u_q(2, 1) → su_q(2)×u(1). Projection operators for the su_q(1, 1) subalgebra are employed to study the same representations for the reduction u_q(2, 1) → u(1)×su_q(1, 1). The matrix elements of the generators of the u_q(2, 1) algebra are computed in this new basis. A general analytic expression for an element of the transformation brackets <U∣T>_q between the bases associated with the above two reductions (the elements of this matrix are referred to as q Weyl coefficients) is obtained for a general case where the deformation parameter q is not equal to a root of unity. It is shown explicitly that, apart from a phase, the q Weyl coefficients coincide with the q Racah coefficients for the su_q(2) quantum algebra.     

On the structure of strips exhibiting the integral quantum Hall effect in an inhomogeneous 2D electron system

A formalism is developed to generalize the results obtained for “incompressible” strips exhibiting the integral quantum Hall effect in a spatially inhomogeneous 2D electron system to the cases of finite temperatures, significant electron density gradients, etc. Specifically, the concept of the “quality” of a given integer quantum Hall effect strip (channel) is introduced; the quality is proportional to the derivative dn(x)/dx in the central part of the channel [n(x) is the electron density distribution over the channel]. For a well-defined channel, this derivative tends to zero. If a noticeable gradient arises in the n(x) distribution, the channel does not exhibit the quantum Hall effect and ceases to exist. The conditions are determined under which a channel exhibiting the integral quantum Hall effect breaks down. The results of calculations are used to interpret the available experimental data.     

All possible Cayley-Klein contractions of quantum orthogonal groups

Spaces of constant curvature and their motion groups are described most naturally in the Cartesian basis. All these motion groups, also known as CK groups, are obtained from an orthogonal group by contractions and analytical continuations. On the other hand, quantum deformation of orthogonal group SO(N) is most easily performed in the so-called symplectic basis. We reformulate its standard quantum deformation to the Cartesian basis and obtain all possible contractions of quantum orthogonal group SO _q (N) for both untouched and transformed deformation parameters. It turned out that, similar to the undeformed case, all CK contractions of SO _q (N) are realized. An algorithm for obtaining nonequivalent (as Hopf algebra) contracted quantum groups is suggested. Contractions of SO _q (N), N = 3, 4, 5, are regarded as examples.     

A Total Measure of Multi-Particle Quantum Correlations in Atomic Schrödinger Cat States

We propose a total measure of multi-particle quantum correlation in a system of N two-level atoms (N qubits). We construct a parameter that encompasses all possible quantum correlations among N two-level atoms in arbitrary symmetric pure states and define its numerical value to be the total measure of the net atom-atom correlations. We use that parameter to quantify the total quantum correlations in atomic Schrödinger cat states, which are generated by the dispersive interaction in a cavity. We study the variation of the net amount of quantum correlation as we vary the number of atoms from N=2 to N=100 and obtain some interesting results. We also study the variation of the net correlation, for fixed interaction time, as we increase the number of atoms in the excited state of the initial system, and notice some interesting features. We also observe the behaviour of the net quantum correlation as we continuously increase the interaction time, for the general state of N two-level atoms in a dispersive cavity.