Theory of s-d exchange scattering in dilute magnetic alloys

The problem of s-d exchange scattering of conduction electrons off localized magnetic moments in dilute magnetic alloys is considered employing formal methods of quantum field theoretical scattering. It is shown that such a treatment not only allows for the first time, the inclusion of multiparticle intermediate states in single particle scattering equations but also results in extremely simple and straight forward mathematical analysis. These equations are proved to be exact in the thermodynamic limit. A self-consistent integral equation for electron self energy is derived and approximately solved. The ground state and physical parameters of dilute magnetic alloys are discussed in terms of the theoretical results. Within the approximation of single particle intermediate states our results reduce to earlier versions. The following additional features are found as a consequence of the inclusion of multiparticle intermediate states;

(i) A non analytic binding energy is pre sent for both, antiferromagnetic (J < o) and ferromagnetic (J > o) couplings of the electron plus impurity system.

(ii) The correct behavior of the energy difference of the conduction electron plus impurity system and the free electron system is found which is free of unphysical singularities present in earlier versions of the theories.

(iii) The ground state of the conduction electron plus impurity system is shown to be a many-body condensate state for J < o and J > o, both. However, a distinction is made between the usual terminology of "Singlet" and "Triplet" ground states and nature of our ground state.

(iv) It is shown that a long range ordering, leading to an ordering of the magnetic moments can result from a contact interaction such as the s-d exchange interaction.

(v) The explicit dependence of the excess specific heat of the Kondo systems is obtained and found to be linear in temperatures as T→ o and T ℓnT for 0.3 T_K ≤ T ≤ 0.6 T_K. A rise in (ΔC/T) for temperatures in the region 0 < T ≤ 0.1 T_K is predicted. These results are found to be in excellent agreement with experiments.

(vi) The existence of a critical temperature for Ferromagnetic coupling (J > o) is shown. On the basis of this the apparent contradiction of the simultaneous existence of giant moments and Kondo effect is resolved.

Lattice anomalies and magnetic states in Fe_5Si_3-Mn_5Si_3 alloys

The lattice anomalies and magnetic states in the (Fe_100-xMn_x)₅Si₃ alloys have been investigated. Contrary to what was previously reported, results of x-ray diffraction show a second phase (α') present in Fe-rich alloys and therefore strictly speaking a complete solid solution does not exist. Mössbauer spectra, measured as a function of composition and temperature, indicate the presence of two inequivalent sites, namely 6(g) site (designated as site I) and 4(d) (site II). A two-site model (TSM) has been introduced to interpret the experimental findings. The compositional variation of lattice parameters a and c, determined from the x-ray analysis, exhibits anomalies at x = 22.5 and x = 50, respectively. The former can be attributed to the effect of a ferromagnetic transition; while the latter is due to the effect of preferential substitution between Fe and Mn atoms according to TSM.

The reduced magnetization of these alloys deduced from magnetic hyperfine splittings has been correlated with the magnetic transition temperatures in terms of the molecular field theory. It has been found from both the Mössbauer effect and magnetization measurements that for composition 0 ≤ x ˂ 50 both sites I and II are ferromagnetic at liquid-nitrogen temperature and possess moments parallel to each other. In the composition range 50 ˂ x ≤ 100 , the site II is antiferromagnetic whereas site I is paramagnetic even at a temperature below the bulk Néel temperatures. In the vicinity of x = 50 however, site II is in a state of transition between ferromagnetism and antiferromagnetism. The present study also suggests that only Mn in site II are responsible for the antiferromagnetism in Mn₅Si₃ contrary to a previous report.

Electrical resistance has also been measured as a function of temperature and composition. The resistive anomalies observed in the Mn-rich alloys are believed to result from the effect of the antiferromagnetic Brillouin zone on the mobility of conduction electrons.

NANOPARTICLE REINFORCEMENT OF FERROUS ALLOYS: WETTABILITY AND MECHANICAL PROPERTIES

El refuerzo de matrices férricascon una fina dispersión de partículas nanométricas permite mejorar la dureza, resistencia mecánica e incluso permitiría mejorar la tenacidad del material al afinar el tamaño de grano.

Relaxation and fracture characteristics in Co-based amorphous alloys

In this article a study of the fracture characteristics of Co66Fe4Mo2Si16B12 amorphous ribbon in the as-quenched state and after relaxation is presented. In the as-quenched state, the morphology of the crack surface shows a 'vein pattern' structure that corresponds to a large amount of plastic flow. After relaxation the surface morphology of the crack shows that when the temperature of the thermal annealing increases the plastic flow involved in the crack decreases. In the as-quenched state dynamic fracture characteristics (crack branching and stress wave induced crack) have been observed. These dynamic characteristics have not been observed in the relaxed samples but in the samples annealed at 250 °C for 20 min apart from the main crack, a crack along the width of the ribbon has been observed. © 2006 Elsevier B.V. All rights reserved.

Light absorption and electrical transport in Si:O alloys for photovoltaics

Thin films (100-500 nm) of the Si:O alloy have been systematically characterized in the optical absorption and electrical transport behavior, by varying the Si content from 43 up to 100 at. %. Magnetron sputtering or plasma enhanced chemical vapor deposition have been used for the Si:O alloy deposition, followed by annealing up to 1250 °C. Boron implantation (30 keV, 3-30× 1014 B/cm2) on selected samples was performed to vary the electrical sheet resistance measured by the four-point collinear probe method. Transmittance and reflectance spectra have been extracted and combined to estimate the absorption spectra and the optical band gap, by means of the Tauc analysis. Raman spectroscopy was also employed to follow the amorphous-crystalline (a-c) transition of the Si domains contained in the Si:O films. The optical absorption and the electrical transport of Si:O films can be continuously and independently modulated by acting on different parameters. The light absorption increases (by one decade) with the Si content in the 43-100 at. % range, determining an optical band gap which can be continuously modulated into the 2.6-1.6 eV range, respectively. The a-c phase transition in Si:O films, causing a significant reduction in the absorption coefficient, occurs at increasing temperatures (from 600 to 1100 °C) as the Si content decreases. The electrical resistivity of Si:O films can be varied among five decades, being essentially dominated by the number of Si grains and by the doping. Si:O alloys with Si content in the 60-90 at. % range (named oxygen rich silicon films), are proved to join an appealing optical gap with a viable conductivity, being a good candidate for increasing the conversion efficiency of thin-film photovoltaic cell. © 2010 American Institute of Physics.

Modelling and design of stress-induced martensite formation in metastable β Ti alloys

The temperature dependence of the stress-induced martensite (SIM) formation in a Ti-10V-2Fe-3Al (Ti-1023) alloy under compressive loading has been studied. At low temperatures, the stress level at which martensite starts to form increases linearly with the deformation temperature, while the stress at which the deformation switches to regular plastic deformation is roughly temperature independent. A thermostatistical model for dislocation evolution is employed to describe deformation twinning in martensite. Combined effects of twinning induced plasticity and solid solution strengthening are considered in terms of temperature variations. The SIM effect disappears on deformation at temperatures beyond ~ 233 ° C, which is close to the predicted Ms temperature of 240°C. The thermostatistical model predicts a transition from twinned martensite to pure slip at 250°C. By providing a model to predict the martensite formation, and by describing deformation twinning, the present work provides a number of tools that may be employed to conceive new titanium alloys combining improved strength and ductility. © 2013 Elsevier B.V.

Elasticity, band structure, and piezoelectricity of BexZn1-xO alloys

Lattice constants, elasticity, band structure and piezoelectricity of hexagonal wideband gap BexZn1-xO ternary alloys are calculatedusing firstprinciples methods. The alloys' lattice constants obey Vegard's law well. As Be concentration increases, the bulk modulus and Young's modulus of the alloys increase, whereas the piezoelectricity decreases. We predict that BexZn1-xO/GaN/substrate (x = 0.022) multilayer structure can be suitable for high-frequency surface acoustic wave device applications. Our calculated results are in good agreement with experimental data and other theoretical calculations. (c) 2008 Elsevier B.V. All rights reserved.

Elasticity, band-gap bowing, and polarization of AlxGa1-xN alloys

Elastic constants, the bulk modulus, Young's modulus, band-gap bowing coefficients, spontaneous and piezoelectric polarizations, and piezoelectric coefficients of hexagonal AlxGa1-xN ternary alloys are calculated using first-principles methods. The fully relaxed structures and the structures subjected to homogeneous biaxial and uniaxial tension are investigated. We show that the biaxial tension in the plane perpendicular to the c axis and the uniaxial tension along the c axis all reduce the bulk modulus, whereas they reduce and enhance Young's modulus, respectively. We find that the biaxial and uniaxial tension can enhance the bowing coefficients. We also find that the biaxial tension can enhance the total polarization, while the uniaxial tension will suppress the total polarization. (C) 2008 American Institute of Physics.

Epitaxial Growth of AlInGaN Quaternary Alloys by RF-MBE

AlInGaN quaternary alloys were successfully grown on sapphire substrate by radio-frequency plasma-excited molecular beam epitaxy (RF-MBE). AlInGaN quaternary alloys with different compositions were acquired by changing the Al cell's temperature. The streaky RHEED patterns were observed during AlInGaN quaternary alloys growth. Scanning Electron Microscope (SEM), Rutherford back-scattering spectrometry (RBS), X-Ray diffraction (XRD) and Cathodoluminescence (CL) were used to characterize the structural and optical properties of the AlInGaN alloys. The experimental results show that the AlInGaN quaternary alloys grow on the GaN buffer in the layer-by-layer growth mode. When the Al cell's temperature is 920 degrees C, the Al/In ratio in the AlInGaN quaternary alloys is about 4.7, and the AlInGaN can acquire better crystal and optical quality. The X-ray and CL full-width at half-maximum (FWHM) of the AlInGaN are 5arcmin and 25nm, respectively.

p-type doping of GaInNAs quaternary alloys

Using the first-principles band-structure method, we investigate the p-type doping properties and band structural parameters of the random Ga1-xInxN1-yAsy quaternary alloys. We show that the Mg-Ga substitution is a better choice than ZnGa to realize the p-type doping because of the lower transition energy level and lower formation energy. The natural valence band alignment of GaAs and GaInNAs alloys is also calculated, and we find that the valence band maximum becomes higher with the increasing in composition. Therefore, we can tailor the band offset as desired which is helpful to confine the electrons effectively in optoelectronic devices. (C) 2008 Published by Elsevier B.V.

Effects of the wave function localization in AlInGaN quaternary alloys

Using the first-principles band-structure method and the special quasirandom structures approach, the authors have investigated the band structure of random AlxInyGa1-x-yN quaternary alloys. They show that the wave functions of the band edge states are more localized on the InN sites. Consequently, the photoluminescence transition intensity in the alloy is higher than that in GaN. The valence band maximum state of the quaternary alloy is also higher than GaN with the same band gap, indicating that the alloy can be doped more easily as p-type. (c) 2007 American Institute of Physics.