Microwave-dielectric and magnetic properties of Ta-doped BiFeO3 nanopowders

BiFe_{1? x} Ta _x O₃ (x = 0, 0.05, 0.1) nanopowders have been fabricated by a simple sol–gel method. Dielectric measurements at microwave frequencies (2–18 GHz) were made using a vector network analyser. Without tantalum, the BiFeO₃ nanopowder presents a relaxation-like response with a characteristic frequency of 15 GHz, which can be associated with an overdamped process. The Ta-doped nanopowders, however, show resonant behaviour with resonant frequencies of 12.5 and 14.6 GHz. The intensity of the resonant peak near 14.6 GHz decreases with increasing Ta addition. This behaviour is associated with a damped resonance process. Room-temperature magnetic measurements indicate that the addition of Ta influences the magnetic properties of the BiFeO₃ nanopowders, with BiFe_0.95Ta_0.05O₃ having the strongest ferromagnetism with a saturation magnetisation M _s of about 0.05 µ_B/Fe. The origin of the enhanced ferromagnetism is possibly associated with the distortion of the oxygen octahedral by the Ta substitution or/and the statistical distribution of Fe³⁺ and Fe²⁺.     

Elastic and phonon properties of quaternary Heusler alloys CoFeCrZ (Z = Al,Si, Ga and Ge) from density functional theory

The structural, elastic and phonon properties of the quaternary CoFeCrZ (Z = Al, Si, Ga and Ge) Heusler alloys have been investigated using the generalized gradient approximation method within density functional theory. The ground-state properties, including, lattice constant and bulk modulus are in good agreement with the available theoretical and experimental data. The elastic constants C_ij are computed using the stress–strain technique. The calculated results indicate that CoFeCrZ (Z = Al, Si, Ga and Ge) alloys are ductile materials. Debye temperatures are predicted from calculated elastic constants. The phonon dispersion relations of CoFeCrZ (Z = Al, Si, Ga and Ge) alloys are calculated for the first time using the density functional theory and the direct method with 2 × 2 × 2 supercell.     

Ab-initio study of the structural,electronic, elastic and vibrational properties of HfX (X = Rh,Ru and Tc)

The structural, elastic, electronic and phonon properties of HfX (X = Rh, Ru and Tc) in the caesium-chloride phase have been investigated using the density functional theory within the generalized gradient approximation. The optimized lattice constant (a₀), bulk modulus (B) and the elastic constants (C_ij) are evaluated. The results are in a good agreement with the available experimental and theoretical data in the literature. Electronic band structures and densities of states have been derived for these compounds. The present band structure calculations indicate that the phases of caesium-chloride HfX (X = Rh, Ru and Tc) compounds are metals. Phonon dispersion curves and their corresponding total and projected density of states have been obtained using the direct method. The phonon spectra suggest that these compounds are dynamically stable in the caesium-chloride phase.     

Electric transport properties of Pt/Permalloy bilayers in the presence of an external magnetic field

A recent experimental study of the electric properties of Pt/Permalloy bilayers based on a simultaneous application of an in-plane microfrequency current and an external magnetic field is simulated on a fully relativistic ab initio level by considering the resistivity as an implicit function of the free energy. It is found that the oscillations detected experimentally are caused by the different behavior of out-of-plane and in-plane resistivities in the vicinity of that value of the free energy that corresponds to the resonant field induced by the applied current. A necessary precondition for such oscillations is a sizeable perpendicular anisotropy, which is not the case in systems consisting only of Permalloy. It is shown that the observed phenomenon is essentially an interface effect.     

Structural,elastic, electronic,phonon and thermal properties of Ir3Ta and Rh3Ta alloys

We have studied the structural, elastic, electronic, phonon and thermodynamic properties of Ir₃Ta and Rh₃Ta alloys, using ab initio calculations. For the L1₂ phase, we report the calculated lattice constants, bulk modulus and elastic constants, and these values are compared with previously published values. We also derive the elastic constants from the values of the slopes of the acoustic branches in the phonon dispersion curves. The band structures show that both materials are metallic. The phonon dispersion curves, and their corresponding total and projected densities of states, are obtained using a linear response in the framework of the density functional perturbation theory. The specific heat capacity at constant volume and different temperatures is calculated, and this aspect is discussed using the quasi-harmonic approximation.     

Investigations of the optical spectra and local structure for nickel(II) ions in XF2 (X = Mg,Zn) single crystals

A complete diagonalization energy matrix method (CDM) is proposed for 3d ⁸ ions in orthorhombic site (D _{2 h} ) symmetry. As an application, the optical spectra of XF₂ : Ni²⁺ (X = Mg, Zn) is well explained on the basis of both the CDM and the semi-self-consistent field d-orbital (semi-SCF d-orbital) theory. In addition, by establishing the relationship between the optical spectra and local structure, it has been possible to calculate the crystal structure parameters for XF₂:Ni²⁺ from optical measurements on Ni²⁺ ions. The theoretical results are in good agreement with experimental findings.     

Effects of Ag and Pd on the nucleation and growth of the nano-icosahedral phase in Zr65Al7.5Ni10Cu7.5M10 (M = Ag or Pd) metallic glasses

The nucleation and growth of a nano-icosahedral phase from a supercooled liquid region of Zr₆₅Al_7.5Ni₁₀Cu_7.5M₁₀ (M = Ag or Pd) glasses have been examined by differential scanning calorimetry and transmission electron microscopy. The growth rate of the icosahedral phase is nearly constant at the initial stage and much slower than that of the Zr₂Ni phase in the Zr₆₅Al_7.5Ni₁₀Cu_17.5 metallic glass. The homogeneous nucleation rate has a maximum value of 4.4 x 10²⁰ m^-3 s^-1 at 695 K in the Zr₆₅Al_7.5Ni₁₀Cu_7.5Ag₁₀ glass, which is approximately 10² times higher than that for the formation of quasicrystalline phase in the Zr_69.5Al_7.5Ni₁₁Cu₁₂ glass and 10⁴ times higher than that of the Zr₂Ni phase in the Zr₆₅Al_7.5Ni₁₀Cu_17.5 glass. With increasing Pd content, the nucleation rate of the primary phase increases significantly and the growth rate decreases at the crystallization temperature. Thus, the addition of Ag and Pd is effective for an increase in the number of nucleation sites and the suppression of grain growth, which is the main reason for the formation of icosahedral nanoparticles. The significant increase in the nucleation rate is due to an increase in the number of nucleation sites resulting from the short-range ordering consisting of Zr-(Ag or Pd) strong pairs. It is implied that the strong pair Zr-(Ag or Pd) also contributes to the restraint of the long-range rearrangements of the constitutional elements. The formation of the nanoicosahedral phase suggests that icosahedral short-range order exists in the glassy state in the present alloys.     

Effect of heat treatment on the microstructure and mechanical properties of spray-formed 7055 aluminium alloy

7055 Al alloys samples were prepared by spray forming and hot-extrusion followed by two different aging treatment procedures. Their different distributions of GP zones, and nanoscale precipitates η′ (MgZn) and η (MgZn₂) are extensively investigated by transmission electron microscope (TEM). The mechanical properties, including tensile strength, Vickers hardness and elongation of both aged 7055 Al alloys, have also been measured and analysed. It is found that T6 and T76 aging treatment results in quite different microstructure and mechanical properties. The outstanding performance of the 7055 Al alloys after T6 aging treatment is attributed to nanoscale semi-coherent dispersion precipitates.     

Psychometrics properties of the Swansea Muscularity Attitudes Questionnaire (SMAQ)

The psychometric soundness of the Swansea Muscularity Attitudes Questionnaire (SMAQ) was examined using two independent samples of Canadian male post-secondary students (Ns = 250 and 310, respectively). Exploratory and confirmatory factor analyses suggested that the final 19-item version of the SMAQ is represented by three latent constructs, which we have labeled: intention to become more muscular (eight-items), positive attributes of muscularity (nine-items), and engagement in muscle-building activities (two-items). Alpha coefficients for the intention and positive subscales were very good (i.e., range = .86–.92). Correlation coefficients between the two-items comprising the engagement subscale also suggest that they can be combined into a composite measure (rs = .70 [study 1] and .58 [study 2]). Various tests of criterion-related and construct validity were conducted, with results indicating that the SMAQ subscales are valid indicants of the drive for muscularity.     

Enhancement on the faceted growth and the coarsening of the MnBi primary phase during the directional solidification under a high magnetic field

The effect of a high magnetic field on the morphology of the MnBi primary phase during the directional solidification has been investigated experimentally and the results show that an application of a high magnetic field has enhanced the faceted growth and the coarsening of the MnBi primary phase. This may be attributed to the effect of a high magnetic field on the diffusion of the solute Mn and the growth anisotropy of the MnBi crystal.     

Investigations of the optical spectra and EPR g-factors for the tetragonal Ce3+ centers in YPO4 and LuPO4 crystals

The optical spectral band positions and EPR g-factors (g_‖ , g _⊥) for the tetragonal Ce³⁺ centers in YPO₄ and LuPO₄ crystals with the zircon-structure are calculated using a complete diagonalization (of the energy matrix) method (CDM) related to 4f¹ ions in tetragonal symmetry. In this method, the Zeeman interaction term are added to the Hamiltonian in the conventional CDM and so no perturbation calculations are required to obtain the g factors. The crystal-field parameters used in the calculations are obtained from the superposition model in which the local lattice relaxation related to the bonding lengths is considered. The calculated results are in reasonable agreement with the experimental values. It is found that the four observed optical bands for both the systems can be attributed to Ce³⁺ ions in a tetragonal crystal field.     

Characterization of PLZT ceramics modified by isovalent (Ba,Sr), donor (Nb) and acceptor (Zn) dopants for piezoelectric applications

This article describes the influence of microstructure on the dielectric and piezoelectric properties of isovalent- donor- and acceptor-modified lead lanthanum zirconium titanate (PLZT) ceramics. The ceramic compositions, with formula: [Pb_0.954La_0.016Ba_0.01Sr_0.02][Zr_0.525Ti_0.475]_{0.981?( m /2)}Nb_0.012Zn _m O₃ where m =?0, 0.2, 0.4, 0.6, 0.8 and 1.0 mol% Zn, were synthesized via a solid-state reaction method. X-ray diffraction studies are supported by tolerance factor and electronegativity difference measurements. Scanning electron microscopy studies reveal grain growth enhancement with increase of Zn concentration. As the Zn concentration increased from 0 to 0.8 mol%, the room-temperature dielectric constant increased while the Curie temperature decreased continuously. An increase in the Zn content had the most significant effect on the piezoelectric properties. The optimum piezoelectric properties were observed for 1 mol% Zn composition.     

High-pressure electrical resistivity behaviour of nanocrystalline perovskite (La,Sr)(Mn,Fe)O3

We report here the electrical resistivity of nanocrystalline perovskite-structured La–Sr manganites as a function of pressures up to 8?GPa, at room temperature. The nanocrystalline perovskite manganites were prepared by the sol–gel technique and found to have crystallite sizes of 12–18?nm. The pressure dependence of the electrical resistivity shows a first-order phase transition at 0.66(2)?GPa and a subtle phase transition between 3.5 and 3.8?GPa. The first-order transition at 0.66?GPa can be related to the transition from localized-electron to band magnetism.     

Neurophysiology and neuroanatomy of reflexive and volitional saccades as revealed by lesion studies with neurological patients and transcranial magnetic stimulation (TMS)

This review discusses the neurophysiology and neuroanatomy of the cortical control of reflexive and volitional saccades in humans. The main focus is on classical lesion studies and studies using the interference method of transcranial magnetic stimulation (TMS). To understand the behavioural function of a region, it is essential to assess oculomotor deficits after a focal lesion using a variety of oculomotor paradigms, and to study the oculomotor consequences of the lesion in the chronic phase. Saccades are controlled by different cortical regions, which could be partially specialised in the triggering of a specific type of saccade. The division of saccades into reflexive visually guided saccades and intentional or volitional saccades corresponds to distinct regions of the neuronal network, which are involved in the control of such saccades.TMS allows to specifically interfere with the functioning of a region within an intact oculomotor network. TMS provides advantages in terms of temporal resolution, allowing to interfere with brain functioning in the order of milliseconds, thereby allowing to define the time course of saccade planning and execution.In the first part of the paper, we present an overview of the cortical structures important for saccade control, and discuss the pro’s and con’s of the different methodological approaches to study the cortical oculomotor network. In the second part, the functional network involved in reflexive and volitional saccades is presented. Finally, studies concerning recovery mechanisms after a lesion of the oculomotor cortex are discussed.     

Psychometric properties of the mini-social phobia inventory (Mini-SPIN) in a large online treatment-seeking sample

The Mini-Social Phobia Inventory (Mini-SPIN) is a brief, three-item measure designed as a screening tool for social anxiety disorder (SAD). This study investigated the Mini-SPIN’s psychometric properties in a series of trials of Internet-delivered treatment. Participants were 993 people seeking Internet-delivered cognitive behavioural therapy for a range of anxiety and mood disorders. Participants completed the Mini-SPIN, and were diagnosed using the Mini International Neuropsychiatric Interview Version 5.0.0 (MINI). They also completed measures of depression, general anxiety, panic, neuroticism and general impairment. The Mini-SPIN’s ability to discriminate between people with and without SAD, within a large sample of people seeking treatment for a range of psychological disorders, was assessed at initial assessment and three-month follow-up. The Mini-SPIN’s criterion group validity, internal consistency, test–retest reliability, construct validity and responsiveness to treatment were also examined. Results demonstrated that the Mini-SPIN has an excellent ability to discriminate between those with and without SAD in a highly comorbid clinical sample, and also has good criterion group validity. The Mini-SPIN also exhibited excellent internal consistency, good test–retest reliability, and was responsive to treatment. These results highlight the Mini-SPIN’s potential as an efficient and reliable measure of SAD in heterogenous populations.     

An examination of the psychometric properties of scores on the Family Strain Index (FSI) in a general community sample

Given the potentially harmful effects of parenting stress on parents, children, and their relationship, it is critical to have a reliable and valid measure of parenting stress in clinical and community samples. The Family Strain Index (FSI) is a brief questionnaire designed to measure stress and demand on parents of children with ADHD. The present study is the first to evaluate the psychometric properties of scores on the FSI in a general community sample. Parents (89% mothers) of 550 preschool children (aged 2–5 years; 50% boys) sampled through 17 kindergartens located in Danish cities and villages completed the FSI, the ADHD Rating Scale (RS)‐IV Preschool Version, and a background questionnaire. FSI scores were characterized by restricted range and floor effects. The scale's construct validity was not supported and the measurement repeatability after 1 month was low. The scale did have convergent validity as levels of parenting stress were associated with perceived ADHD behavior in off‐spring, but overall, results did not encourage the use of the FSI as a measure of parenting stress in the general population. Measures that include more normative events may be more appropriate when attempting to capture parenting stress in general community samples.     

The psychometric properties of the center for epidemiological studies-depression scale (ces-d) when used with adults with physical disabilities

Abstract

Psychometric properties of the Center for Epidemiological Studies Depression Scale (CES-D) were examined in a sample of 790 adults with physical disabilities and compared to the responses obtained from non-disabled samples (Craig and Van Natta, 1976; Radloff, 1977). Findings suggested the CES-D is a valid measure of depressive symptoms among adults with physical disabilities. Scores on the CES-D scale were not elevated by somatic issues related to physical disability as evidenced by the lack of statistically significant differences in the persistence percentages reported by adults with physical disabilities and non-disabled adults for four of the seven items composing the somatic dimension of the CES-D. Moreover, the factor structure obtained via principal components analysis was highly similar to that obtained with non-disabled adults. Likewise, the Cronbach alpha value for the total score was within acceptable ranges and scores on the CES-D scale were moderately correlated with scores on a number of related but putatively distinct constructs.