Density functional study of $$\hbox {AgScO}_2$$: Electronic and optical properties

Dielectric relaxation studies of binary (jk) polar mixtures of tetrahydrofuran with N-methyl acetamide, N,N-dimethyl acetamide, N-methyl formamide and N,N-dimethyl formamide dissolved in benzene(i) for different weight fractions (w _{j k} ’s) of the polar solutes and mole fractions (x _j ’s) of tetrahydrofuran at 25 ^°C are attempted by measuring the conductivity of the solution under 9.90 GHz electric field using Debye theory. The estimated relaxation time (τ _{j k} ’s) and dipole moment (μ _{j k} ’s) agree well with the reported values signifying the validity of the proposed methods. Structural and associational aspects are predicted from the plot of τ _{j k} and μ _{j k} against x _j of tetrahydrofuran to arrive at solute–solute (dimer) molecular association upto x _j =0.3 of tetrahydrofuran and thereafter solute–solvent (monomer) molecular association upto x _j =1.0 for all systems except tetrahydrofuran + N,N-dimethyl acetamide.     

Anisotropic Generalized Ghost Pilgrim Dark Energy Model in General Relativity

A spatially homogeneous and anisotropic locally rotationally symmetric (LRS) Bianchi type-I Universe filled with matter and generalized ghost pilgrim dark energy (GGPDE) has been studied in general theory of relativity. To obtain determinate solution of the field equations we have used scalar expansion proportional to the shear scalar which leads to a relation between the metric potentials. Some well-known cosmological parameters (equation of state (EoS) parameter (ω _Λ), deceleration parameter (q) and squared speed of sound \({v_{s}^{2}}\)) and planes (\(\omega _{\Lambda }-\dot {\omega }_{\Lambda }\) and statefinder) are constructed for obtained model. The discussion and significance of these parameters is totally done through pilgrim dark energy parameter (β) and cosmic time (t).     

Dynamical Characteristics of a Non-canonical Scalar-Torsion Model of Dark Energy

In this paper, we analyze the phase-space of a model of dark energy in which a non-canonical scalar field (tachyon) non-minimally coupled to torsion scalar in the framework of teleparallelism. Scalar field potential and non-minimal coupling function are chosen as V(?) = V₀?ⁿ and f(?) = ?^N, respectively. We obtain a critical point that behaves like a stable or saddle point depending on the values of N and n. Additionally we find an unstable critical line. We have shown such a behavior of critical points using numerical computations and phase-space trajectories explicitly.     

D-brane SM-like and scalar dark matter in type IIA superstring theory

In light of the present LHC Run II at √s = 13 TeV, a SM-like string model is studied. Specifically, a singlet S scalar-extended SM given in terms of four stacks of intersecting D6-branes in a type IIA superstring compactification producing a large gauge symmetry is examined. The scales involved are dealt with. According to the dark matter relic density, the mass of the scalar dark matter beyond the SM m _S ? 10³ GeV and the corresponding Higgs portal couplings λ _SH ? 10^–8 have been obtained.     

Inflation of the early cold Universe filled with a nonlinear scalar field and a nonideal relativistic Fermi gas

We consider a possible scenario for the evolution of the early cold Universe born from a fairly large quantum fluctuation in a vacuum with a size a ₀ ? l _P (where l _P is the Planck length) and filled with both a nonlinear scalar field φ, whose potential energy density U(φ) determines the vacuum energy density λ, and a nonideal Fermi gas with short-range repulsion between particles, whose equation of state is characterized by the ratio of pressure P(n _F ) to energy density ε(n _F ) dependent on the number density of fermions n _F . As the early Universe expands, the dimensionless quantity ν(n _F ) = P(n _F )/ε(n _F ) decreases with decreasing n _F from its maximum value ν_max = 1 for n _F → ∞ to zero for n _F → 0. The interaction of the scalar and gravitational fields, which is characterized by a dimensionless constant ξ, is proportional to the scalar curvature of four-dimensional space R = κ[3P(n _F )–ε(n _F )–4λ] (where κ is Einstein’s gravitational constant), and contains terms both quadratic and linear in φ. As a result, the expanding early Universe reaches the point of first-order phase transition in a finite time interval at critical values of the scalar curvature R = R _c =–μ²/ξ and radius a _c ? a ₀. Thereafter, the early closed Universe “rolls down” from the flat inflection point of the potential U(φ) to the zero potential minimum in a finite time. The release of the total potential energy of the scalar field in the entire volume of the expanding Universe as it “rolls down” must be accompanied by the production of a large number of massive particles and antiparticles of various kinds, whose annihilation plays the role of the Big Bang. We also discuss the fundamental nature of Newton’ gravitational constant G _N .     

The minimal axion minimal linear $$\sigma $$ model

The minimal SO(5) / SO(4) linear \(\sigma \) model is extended including an additional complex scalar field, singlet under the global SO(5) and the Standard Model gauge symmetries. The presence of this scalar field creates the conditions to generate an axion à la KSVZ, providing a solution to the strong CP problem, or an axion-like-particle. Different choices for the PQ charges are possible and lead to physically distinct Lagrangians. The internal consistency of each model necessarily requires the study of the scalar potential describing the \(SO(5)\rightarrow SO(4)\), electroweak and PQ symmetry breaking. A single minimal scenario is identified and the associated scalar potential is minimised including counterterms needed to ensure one-loop renormalizability. In the allowed parameter space, phenomenological features of the scalar degrees of freedom, of the exotic fermions and of the axion are illustrated. Two distinct possibilities for the axion arise: either it is a QCD axion with an associated scale larger than \(\sim 10^{5}\) TeV and therefore falling in the category of the invisible axions; or it is a more massive axion-like-particle, such as a 1 GeV axion with an associated scale of \(\sim 200\) TeV, that may show up in collider searches.     

Some Families of the Incomplete H-Functions and the Incomplete $$\overline H $$ -Functions and Associated Integral Transforms and Operators of Fractional Calculus with Applications

Our present investigation is inspired by the recent interesting extensions (by Srivastava et al. [35]) of a pair of the Mellin–Barnes type contour integral representations of their incomplete generalized hypergeometric functions _p γ _q and _p Γ _q by means of the incomplete gamma functions γ(s, x) and Γ(s, x). Here, in this sequel, we introduce a family of the relatively more general incomplete H-functions γ _p,q ^m,n (z) and Γ _p,q ^m,n (z) as well as their such special cases as the incomplete Fox-Wright generalized hypergeometric functions _p Ψ _q ^(γ) [z] and _p Ψ _q ^(Γ) [z]. The main object of this paper is to study and investigate several interesting properties of these incomplete H-functions, including (for example) decomposition and reduction formulas, derivative formulas, various integral transforms, computational representations, and so on. We apply some substantially general Riemann–Liouville and Weyl type fractional integral operators to each of these incomplete H-functions. We indicate the easilyderivable extensions of the results presented here that hold for the corresponding incomplete \(\overline H \)-functions as well. Potential applications of many of these incomplete special functions involving (for example) probability theory are also indicated.     

Noether symmetry of <Emphasis Type="Italic">F</Emphasis>(<Emphasis Type="Italic">T</Emphasis>) cosmology with quintessence and phantom scalar fields

In this paper, we investigate the Noether symmetries of F(T) cosmology involving matter and dark energy. In this model, the dark energy is represented by a canonical scalar field with a potential. Two special cases for dark energy are considered, including phantom energy and quintessence. We obtain F(T)～T ^3/4, and the scalar potential V(?)～? ² for both models of dark energy and discuss quantum picture of this model. Some astrophysical implications are also discussed.     

A Note on Holographic Dark Energy with Varying <Emphasis Type="Italic">c</Emphasis><Superscript>2</Superscript> Term

We reconsider the holographic dark energy (HDE) model with a slowly time varying c ²(z) parameter in the energy density, namely \(\rho _{D}=3{M_{p}^{2}} c^{2}(z)/L^{2}\), where L is the IR cutoff and z is the redshift parameter. As the system’s IR cutoff we choose the Hubble radius and the Granda-Oliveros (GO) cutoffs. The latter inspired by the Ricci scalar curvature. We derive the evolution of the cosmological parameters such as the equation of state and the deceleration parameters as the explicit functions of the redshift parameter z. Then, we plot the evolutions of these cosmological parameters in terms of the redshift parameter during the history of the universe. Interestingly enough, we observe that by choosing L = H ^?1 as the IR cutoff for the HDE with time varying c ²(z) term, the present acceleration of the universe expansion can be achieved, even in the absence of interaction between dark energy and dark matter. This is in contrast to the usual HDE model with constant c ² term, which leads to a wrong equation of state, namely that for dust w _D =0, when the IR cutoff is chosen the Hubble radius.     

Reconditioning in Discrete Quantum Field Theory

We consider a discrete scalar, quantum field theory based on a cubic 4-dimensional lattice. We mainly investigate a discrete scattering operator S(x ₀,r) where x ₀ and r are positive integers representing time and maximal total energy, respectively. The operator S(x ₀,r) is used to define transition amplitudes which are then employed to compute transition probabilities. These probabilities are conditioned on the time-energy (x ₀,r). In order to maintain total unit probability, the transition probabilities need to be reconditioned at each (x ₀,r). This is roughly analogous to renormalization in standard quantum field theory, except no infinities or singularities are involved. We illustrate this theory with a simple scattering experiment involving a common interaction Hamiltonian. We briefly mention how discreteness of spacetime might be tested astronomically. Moreover, these tests may explain the existence of dark energy and dark matter.     

Limits on the scalar-leptoquark and scalar-gluon masses from the parameters <Emphasis Type="Italic">S</Emphasis>, <Emphasis Type="Italic">T</Emphasis>, and <Emphasis Type="Italic">U</Emphasis> in the minimal model based on four-color symmetry

The contributions to the parameters S, T, and U of radiative corrections from the doublets of scalar leptoquarks and scalar gluons are analyzed within the minimal model based on four-color symmetry of the Pati-Salam type. It is shown that current experimental data on the parameters S, T, and U admit the existence of relatively light scalar leptoquarks and scalar gluons (of mass lower than 1 TeV), the best fit to experimental data being attained at mass values not greater than 400 GeV. In particular, the existence of scalar leptoquarks of mass below 300 GeV is found to be compatible with data on the parameters S, T, and U at χ² < 3.1 (3.2) for m_H = 115 (300) GeV as against χ _SM ² = 3.5 (5.0) in the Standard Model. The mass of the lightest scalar gluon is then predicted to be less than 850 (720) GeV. It is emphasized that the aforementioned doublets of scalar leptoquarks and scalar gluons can play a significant role in processes involving a t quark at LHC.     

Probing the sign-changeable interaction between dark energy and dark matter with current observations

We consider the models of vacuum energy interacting with cold dark matter in this study, in which the coupling can change sigh during the cosmological evolution. We parameterize the running coupling b by the form b(a) = b_0 a + b_e(1-a), where at the earlytime the coupling is given by a constant b_e and today the coupling is described by another constant b_0. We explore six specific models with(i) Q = b(a)H_0ρ_0,(ii) Q = b(a)H_0ρ_(de),(iii) Q = b(a)H_0ρ_c,(iv) Q = b(a)Hρ_0,(v) Q = b(a)Hρ_(de), and(vi) Q = b(a)Hρ_c.The current observational data sets we use to constrain the models include the JLA compilation of type Ia supernova data, the Planck 2015 distance priors data of cosmic microwave background observation, the baryon acoustic oscillations measurements,and the Hubble constant direct measurement. We find that, for all the models, we have b_0 0 and b_e 0 at around the 1σ level,and b_0 and b_e are in extremely strong anti-correlation. Our results show that the coupling changes sign during the evolution at about the 1σ level, i.e., the energy transfer is from dark matter to dark energy when dark matter dominates the universe and the energy transfer is from dark energy to dark matter when dark energy dominates the universe.     

Ghost Dark Energy with Non-Linear Interaction Term

Here we investigate ghost dark energy (GDE) in the presence of a non-linear interaction term between dark matter and dark energy. To this end we take into account a general form for the interaction term. Then we discuss about different features of three choices of the non-linear interacting GDE. In all cases we obtain equation of state parameter, w _D = p/ρ, the deceleration parameter and evolution equation of the dark energy density parameter (Ω _D ). We find that in one case, w _D cross the phantom line (w _D < ?1). However in two other classes w _D can not cross the phantom divide. The coincidence problem can be solved in these models completely and there exist good agreement between the models and observational values of w _D , q. We study squared sound speed \({v_{s}^{2}}\), and find that for one case of non-linear interaction term \({v_{s}^{2}}\) can achieves positive values at late time of evolution.     

Electronic structure and optical properties of prominent phases of $$\hbox {TiO}_{2}$$: First-principles study

We present the properties of the C-parameter as an event-shape variable. We calculate the coupling constants in the perturbative and also in the non-perturbative parts of the QCD theory, using the dispersive as well as the shape function models. By fitting the corresponding theoretical predictions to our data, we find \(\alpha _{\mathrm {s}} (M_{Z^{0}})\) = 0.117 ± 0.014 and α ₀(μ _I ) = 0.491 ± 0.043 for dispersive model and \(\alpha _{\mathrm {s}} (M_{Z^{0}})\) = 0.124 ± 0.015 and λ ₁ = 1.234 ± 0.052 for the shape function model. Our results are consistent with the world average value of \(\alpha _{\mathrm {s}} (M_{Z^{0}})\) = 0.118 ± 0.002. All these features are explained in the main text.     

Calculation of the diffusion coefficient in acoustic turbulence

The first (Born) approximation commonly used to calculate the diffusion coefficient D_T of a passive scalar in acoustic turbulence is shown to be insufficient. Even for a small main parameter—the Mach number, M?1—the next approximation gives a larger contribution to D_T than does the first approximation, but negative in sign. We present a procedure for correctly calculating D_T based on the solution of a nonlinear DIA (direct interaction approximation) equation for the mean Green’s function of the problem. We include an additional term in the general formula for D_T that directly describes the compressibility of acoustic turbulence. This term has not been known previously and has been disregarded even in the Born approximation. A positive value was obtained for D_T=CM³u₀/p₀. The spectrum E(x) was assumed to be smooth at distances Δ x～M²?1.     

Violation of light beam reversibility principle in optical media with a random quasi-zero refractive index

The relic abundance of light millicharged particles (MCPs) with the electric charge e′ = 5 × 10^–5 e and with the mass slightly below or above the electron mass is calculated. The abundance depends on the mass ratio η = m _X /m _e and for η < 1 can be high enough to allow MCPs to be the cosmological dark matter or to make a noticeable contribution to it. On the other hand, for η ? 1 the cosmological energy density of MCPs can be quite low, Ω _X h ₀ ² ≈ 0.02 for scalar MCPs, and Ω _X h ₀ ² ≈ 0.001 for spin 1/2 fermions. But even the lowest value of Ω _X h ₀ ² is in tension with several existing limits on the MCP abundances and parameters. However, these limits have been derived under some natural or reasonable assumptions on the properties of MCPs. If these assumptions are relaxed, a patch in the mass–charge plot of MCPs may appear, permitting them to be dark matter particles.     

Graviton and scalar propagations on AdS<Subscript>4</Subscript> space in <Emphasis Type="Italic">f</Emphasis>(<Emphasis Type="Italic">R</Emphasis>) gravities

We investigate propagations of graviton and additional scalar on four-dimensional anti-de Sitter (AdS₄) space using f(R) gravity models with external sources. It is shown that there is the van Dam–Veltman–Zakharov (vDVZ) discontinuity in f(R) gravity models because f(R) gravity implies GR with additional scalar. This clearly indicates a difference between general relativity and f(R) gravity.     

Ab initio calculations of B<Subscript>2</Subscript> type RHg (R = Ce,Pr, Eu and Gd) intermetallic compounds

Spin polarized ab initio calculations have been carried out to study the structural, electronic, elastic and thermal properties of RHg (R = Ce, Pr, Eu and Gd) intermetallic compounds in B₂ structure. The calculations have been performed by using both generalized gradient approximation (GGA) and local spin density approximation (LSDA). The calculated value of lattice constant (a ₀) for these compounds with GGA is in better agreement with the experimental data than those with LSDA. Bulk modulus (B), first-order pressure derivative of bulk modulus and magnetic moment (μ _B ) are also presented. The energy band structure and electron density of states show the occupancy of 4f states for light as well as heavy rare earth atom. The elastic constants are predicted from which all the related mechanical properties like Poisson’s ratio (σ), Young’s modulus (E), shear modulus (G _H ) and anisotropy factor (A) are calculated. The ductility or brittleness of these compounds is predicted from Pugh’s rule (B/G _H ) and Cauchy pressure (C ₁₂ ? C ₄₄). The Debye temperature (θ _D ) is estimated from the average sound velocity, which have not been calculated and measured yet.     

Inflation Driven by q-de Sitter

We propose a generalised de Sitter scale factor for the cosmology of early and late time universe, including single scalar field is called as inflaton. This form of scale factor has a free parameter q is called as nonextensivity parameter. When q = 1, the scale factor is de Sitter. This scale factor is an intermediate form between power-law and de Sitter. We study cosmology of such families. We show that both kinds of dark components, dark energy and dark matter simultaneously are described by this family of solutions. As a motivated idea, we investigate inflation in the framework of q-de Sitter. We consider three types of scenarios for inflation. In a single inflation scenario, we observe that, inflation ended without any specific ending inflation ?_end, the spectral index and the associated running of the spectral index are n_s ? 1 ～ ?2??, α_s ≡ 0. To end the inflation: we should have \(q=\frac {3}{4}\). We deduce that the inflation ends when the evolution of the scale factor is a(t) = e_3/4(t). With this scale factor there is no need to specify ?_end. As an alternative to have inflation with ending point, We will study q-inflation model in the context of warm inflation. We propose two forms of damping term Γ. In the first case when Γ = Γ₀, we show the scale invariant spectrum, (Harrison-Zeldovich spectrum, i.e. n_s = 1) may be approximately presented by (\(q=\frac {9}{10},~~N=70\)). Also there is a range of values of R and n_s which is compatible with the BICEP2 data where \(q=\frac {9}{10}\). In case Γ = Γ₁V(?), it is observed that small values of a number of e-folds are assured for small values of q parameter. Also in this case, the scale-invariant spectrum may be represented by \((q,N) = (\frac {9}{10},70)\). For \(q=\frac {9}{10}\) a range of values of R and n_s is compatible with the BICEP2 data. Consequently, the proposal of q-de Sitter is consistent with observational data. We observe that the non-extensivity parameter q plays a significant role in inflationary scenario.     

Characteristics of surface acoustic waves in (11$$\bar 2$$ 0)ZnO film/ R-sapphire substrate structures

(11\(\bar 2\)0)ZnO film/R-sapphire substrate structure is promising for high frequency acoustic wave devices. The propagation characteristics of SAWs, including the Rayleigh waves along [0001] direction and Love waves along [1ī00] direction, are investigated by using 3 dimensional finite element method (3D-FEM). The phase velocity (v _p), electromechanical coupling coefficient (k ²), temperature coefficient of frequency (TCF) and reflection coefficient (r) of Rayleigh wave and Love wave devices are theoretically analyzed. Furthermore, the influences of ZnO films with different crystal orientation on SAW properties are also investigated. The results show that the 1st Rayleigh wave has an exceedingly large k ² of 4.95% in (90°, 90°, 0°) (11\(\bar 2\)0)ZnO film/R-sapphire substrate associated with a phase velocity of 5300 m/s; and the 0th Love wave in (0°, 90°, 0°) (11\(\bar 2\)0)ZnO film/R-sapphire substrate has a maximum k ² of 3.86% associated with a phase velocity of 3400 m/s. And (11\(\bar 2\)0)ZnO film/R-sapphire substrate structures can be used to design temperature-compensated and wide-band SAW devices. All of the results indicate that the performances of SAW devices can be optimized by suitably selecting ZnO films with different thickness and crystal orientations deposited on R-sapphire substrates.