Recovery of electrical resistivity in amorphous pdsi alloys after low temperature neutron irradiation

Measurements of electrical resistivity after low temperature fast neutron irradiation are made for amorphous Pd₈₀Si₂₀ and Pd₈₀Ni₂Sl₁₈ and then Pd₈₀Si₂₀ annealed at 230°C and 360°C, and the isochronal annealing curves are obtained. The resistivity increase of Pd₈₀Si₂₀ annealed at 360°C is about 10 times larger than that of amorphous alloys and no defined annealing stage is observed in amorphous alloys and Pd₈₀Si₂₀ annealed at 360°C. For amorphous Pd₈₀Si₂₀, about 60% of the resistivity increase by irradiation remains after annealing up to room temperature and these are discussed by the structural relaxation.     

Ultraviolet photoelectron spectroscopy of Pd-Si glasses

In order to determine systematic changes in the density of states with alloy composition, photoelectron spectra at hv=21.2 eV were measured for several amorphous alloys based on the well-known Pd-Si glass system. Three binary alloys with 15, 20, and 25 at. % Si, two ternaries, Pd₈₀ Si₁₇ Cu₃ and Pd₈₀ Si₁₄ Cu₆, and polycrystalline Pd were analyzed. Compared to Pd, both the density of states at the Fermi energy and the d-band width are reduced in the glasses. The d-bands display an overall shift of 0.4 eV over the range of alloy compositions studied. Partial agreement with recent density of states calculations was obtained.     

Oxygen impact on quantum confinement effect for silicon clusters in different size regimes: ab initio investigations

The phenomena where the parameter like optical gap, HOMO-LUMO gap etc of a cluster will behave like a monotonic function with respect to its size is called quantum confinement effect. Here we are dealing with clusters having number of silicon atoms as 10, 16, 19, 20, 35, 54 and 78 which are representatives of different size regime clusters. For each clusters we have experimented with a number of isomers and the results we are showing are only of the stable most isomers. Then for each clusters we are capping them with oxygen atoms and calculating their optical response using DFT based calculations. We also calculate their HOMO-LUMO gap with and without oxygen atoms. The main essence of this work is mainly revolving around the variation of optical gap as well as the HOMO-LUMO gap for all the clusters with respect to their size and also whether oxygen insertion can induce any changes in quantum confinement effect. Also for Si₂₀, Si₁₉, Si₁₆ and Si₁₀ we have calculating the optical spectra with a variation of inserted oxygen on the surface of those clusters. All the calculation are performed using Vienna ab initio simulation package (VASP) and Car Parrinello molecular dynamics (CPMD) for geometry optimization. The optical spectra of the clusters are performed by real space PARSEC code and time dependent density functional theory implemented RGWBS code which takes into account the many body effects using GW and BSE equations.     

Geometries,stabilities and electronic properties of small-sized Pd2-doped Sin (n = 1–11) clusters

The geometries, growth patterns, relative stabilities and electronic properties of small-sized Pd₂Si_n and Si_n+2 (n = 1–11) clusters are systematically studied using the hybrid density functional theory method B3LYP. The optimised structures revealed that the lowest energy Pd₂Si_n clusters are not similar to those of pure Si_n clusters. When n = 9, one Pd atom in Pd₂Si₉ completely falls into the centre of the Si outer frame, forming metal-encapsulated Si cages. On the basis of the optimised structures, the averaged binding energy, fragmentation energy, second-order energy difference and highest occupied–lowest unoccupied molecular orbital energy gap are calculated. It is found that the Pd₂Si₅ and Pd₂Si₇ clusters have stronger relative stabilities among the Pd₂Si_n clusters. Additionally, the stabilities of Si_n+2 clusters have been reduced by the doping of Pd impurity. The natural population and natural electronic configuration analysis indicated that the Pd atoms possess negative charges for n = 1–11 and there exist the spd hybridisation in the Pd atom. Finally, the chemical hardness, chemical potential, electrostatic potential and polarisability are discussed.     

中子辐照对Pd80Si20与Pd77.5Cu6Si16.5非晶态合金结构的影响

本工作用X射线衍射技术示差扫描量热法(DSC)和内耗测量等手段研究金属-类金属非晶态合金Pd₈₀Si₂₀和Pd_77.5Cu₆Si_16.5中子辐照前后的微观结构变化。结果表明,辐照在两种样品的对关联函数g(r)以及径向分布函数RDF(r)上都引起明显的变化;辐照后样品的晶化温度和晶化热有所提高,结构变得更加无序,Pd₈₀Si₂₀非晶态合金的内耗在T关键词：     

Low temperature Hall-effect measurements in some metallic glasses

We report on simultaneous measurements of the Hall-effect and resistivity in the metallic glasses Pd₈₀Si₂₀ and Ni₇₈Si₈B₁₄. Data were taken within a temperature range of 1.7 to 300 K and in magnetic fields up to 1.1 T. Whereas the Hall constant is nearly independent of temperature in case of Pd₈₀Si₂₀, it changes sign at low temperatures in Ni₇₈Si₈B₁₄. The implications of the low temperature results are discused with respect to the origin of a resistivity minimum, present in both alloys.     

Evolution of magnetism in U(Ni 1- xPd x) Si single crystals

Single crystals of U(Ni_1-xPd_x)₂Si₂ with x = 0.05, 0.09 and 0.135 have been grown. Magnetization and electrical resistivity measurements were performed in a wide range of temperatures and magnetic fields in order to study stability of magnetic phases in the solid solutions between UNi₂Si₂ and UPd₂Si₂ with a special emphasis on the type of ground state. In UPd₂Si₂ the simple AFI-type antiferromagnetic structure of U moments is observed at low temperatures. UNi₂Si₂ adopts the uncompensated AF structure (UAF) with the + + - stacking of U moments along the c-axis and consequently this compound exhibits a spontaneous magnetization corresponding to 1/3 of the U moment. The substitution of Pd for Ni leads to a rapid decay of the spontaneous magnetization. The evolution of magnetization and electrical resistivity behavior with Pd doping is tentatively attributed to the coexistence of the AF-I and UAF phases in the ground state of U(Ni_0.91Pd_0.09)₂Si₂ and U(Ni_0.865Pd_0.135)₂Si₂. In this scenario, the volume fraction of the AF-I phase rapidly grows with Pd doping on account of the UAF. At lowest temperatures an irreversible transition to the UAF phase is observed when a sufficiently high magnetic field is applied along the c-axis. Received 28 March 2002 / Received in final form 8 August 2002 Published online 19 December 2002 RID="a" ID="a"e-mail: sech@mag.mff.cuni.cz     

Local atomic structures of amorphous Pd80Si20 alloys and their configuration heredity in the rapid solidification

The local atomic structures of amorphous Pd₈₀Si₂₀ alloys and their configuration heredity in the rapid solidification are investigated by a molecular dynamics simulation with the help of cluster-type index method based on Honeycutt–Anderson bond-type index and an inversely tracking technique of atomic trajectories. Their short-range orders are found to be various Kasper clusters as well as their distorted configurations, and among which (10 2/1441 8/1551) bi-capped square Archimedean anti-prism (BSAP) clusters are dominated, e.g. Si-centred Pd₁₀Si₁ clusters. These Kasper clusters mainly exist in the form of isolated basic clusters. Few medium-range orders can be detected, especially for Si-centred Kasper clusters. Similarly to icosahedrons of Cu–Zr amorphous alloys, their sustainable configuration heredity also occurs firstly in the super-cooled liquid region, and BSAP clusters have higher onset temperature T_onset and bigger descendible fraction F than other Kasper clusters in the rapid solidification of Pd₈₀Si₂₀ alloys.     

TDPAC study of amorphous alloys Pd0.8Si0.2 and Pd0.75Si0.20Ag0.05

The amorphous alloys Pd_0.8Si_0.2 and Pd_0.75Si_0.20Ag_0.05 have been studied by the time differential perturbed angular correlation method. A broad EFG distribution with a relative width of 0.48–0.51 was sensed by the probe nuclei¹¹¹Cd for both the amorphous alloys. The unique quadrupole interaction frequencies were observed after annealing above the phase transition temperature. The observed broad distribution of the EFG implies that the crystallographic structure of the amorphous alloys is characterized by short-range order and long-range disorder, which is in accord with the continuous random model.     

Photoemission (XPS,UPS) studies of Pd-Si metallic glasses

The valence bands of glassy $\text{Pd}{}_{\mathrm{100?x}}\text{Si}{}_{\mathrm{x}}\text{(15?x?21)}$ and pure Pd were studied by XPS and UPS. The valence band spectra of the alloys show a strongly reduced density of states at the Fermi energy E_F compared to Pd. From the measured relative photoelectric cross sections for the different excitation energies we conclude that the electron states near E_F of the glassy alloys have mainly d-character. This is in good agreement with recent measurements of the low-temperature specific heat, the magnetic susceptibility and the optical reflectivity.     

The d-resonance scattering in amorphous Fe x Pd80−x Si20 alloy

The electrical resistivity of amorphous Fe _x Pd_80–x Si₂₀ alloy has been discussed in terms of extended Ziman theory. The increase in the electrical resistivity of Fe _x Pd_80–x Si₂₀ has been predicted due to the d-resonance scattering of the conduction electrons by Fe-atoms.Dedicated to Academician Vladimír Hajko on the occasion of his 65th birthday.     

低扩散系数对Pd77Cu6Si17合金易非晶化的影响

采用激光熔凝技术,研究了Pd₇₇Cu₆Si₁₇合金快速凝固组织的演变规律.研究表明:随着生长速度的增大,Pd₇₇Cu₆Si₁₇合金晶体生长组织形貌发生了Pd₃Si枝晶+共晶-ξ枝晶+共晶-共晶团簇-规则共晶-非晶的转变,共晶失稳即非晶形成的临界生长速度为6 mm/s,最小层片间距为35 nm.通过与Al-25 wt% Sm,Al-32.7     

The impact of ultra thin silicon nitride buffer layer on GaN growth on Si (1 1 1) by RF-MBE

Ultra thin films of pure silicon nitride were grown on a Si (1 1 1) surface by exposing the surface to radio-frequency (RF) nitrogen plasma with a high content of nitrogen atoms. The effect of annealing of silicon nitride surface was investigated with core-level photoelectron spectroscopy. The Si 2p photoelectron spectra reveals a characteristic series of components for the Si species, not only in stoichiometric Si₃N₄ (Si⁴⁺) but also in the intermediate nitridation states with one (Si¹⁺) or three (Si³⁺) nitrogen nearest neighbors. The Si 2p core-level shifts for the Si¹⁺, Si³⁺, and Si⁴⁺ components are determined to be 0.64, 2.20, and 3.05 eV, respectively. In annealed sample it has been observed that the Si⁴⁺ component in the Si 2p spectra is significantly improved, which clearly indicates the crystalline nature of silicon nitride. The high resolution X-ray diffraction (HRXRD), scanning electron microscopy (SEM) and photoluminescence (PL) studies showed a significant improvement of the crystalline qualities and enhancement of the optical properties of GaN grown on the stoichiometric Si₃N₄ by molecular beam epitaxy (MBE).     

Iron silicide-based ferromagnetic metal/semiconductor nanostructures

Ferromagnetic single-crystal epitaxial Fe₃Si films and polycrystalline Fe₅Si₃ films are obtained on Si substrates by molecular-beam epitaxy with in situ control of the structure, optical, and magnetic properties. The results of the structural, magnetic, and optical measurements are discussed. The experimental data are compared to the results of the microscopic calculation of the spin-polarized structure, the permittivity, and the optical conductivity spectra.     

Optical properties and deep levels in annealed Si1−xMnx bulk materials

The optical properties and the deep levels in bulk Si_1−xMn_x formed by using an implantation and annealing method were investigated. Transmission electron microscopy, X-ray diffraction, and Hall-effect measurements showed that the annealed bulk Si_1−xMn_x samples were p-type crystalline semiconductors. The photoluminescence spectra for the annealed bulk Si_1−xMn_x material showed luminescence peaks corresponding to excitons bound to neutral acceptors and related to dislocations due to the existence of Mn impurities. Deep-level transient spectroscopy results for the annealed bulk Si_1−xMn_x showed deep levels related to the interstitial and substitutial sites of the Mn⁺ ions. These results can help improve understanding of the optical properties and the deep levels in annealed bulk Si_1−xMn_x material.     

Nanostructuring effects in soft magnetic films and film elements with magnetic impedance

The magnetization reversal and magnetic impedance (MI) of films and film elements based on Fe₁₉Ni₈₁ and Fe_72.5Cu_1.1Nb_1.9Mo_1.5Si_14.2B_8.7 alloys with a varied thickness, heat-treatment temperature, and the number of thin Cu interlayers are studied. The dependences of the coercive force and the magnitude of MI on these parameters are found. Layered structuring is shown to be an effective method for improving the functional characteristics of MI elements. In elements containing nanocrystalline Fe₁₉Ni₈₁ layers, this is related to the restructuring of a magnetic structure; in elements containing amorphous Fe_72.5Cu_1.1Nb_1.9Mo_1.5Si_14.2B_8.7 layers, this improvement is likely to be caused by a decrease in the effective electrical resistivity.     

Cooling effect on the electron states of Si(III)Pd and Si(III)Pt interfaces

Photoemission and Auger results are given for Si(III)Pd and Si(III)Pt interfaces prepared by depositing 10 ml metal onto cleaved Si(III). Thermal cycling between room temperature and liquid nitrogen temperature originates a reversible effect in the spectra due to metal concentration increase in $\text{Si}\text{Pt}$ and decrease in $\text{Si}\text{Pd}$. The results are discussed in connection with open problems on Si d-metal interfaces.     

Thermopower of some amorphous transition metal-alloys

Measurements of the thermopower for amorphous alloys are reported in the temperature range 77K to 320K. The alloys examined are Cu₅₀Ti₅₀, Pd₈₀Si₂₀, Pd₃₀Zr₇₀ and Cu₄₀Zr₆₀. The data are compared with values of similar systems, as far as available. In addition we analyse the temperature coefficient of the thermopower, applying a model, based on the Ziman formulation of the transport properties.     

Spectroscopic ellipsometric characterization of TiAlN/TiAlON/Si3N4 tandem absorber for solar selective applications

Sputter deposited TiAlN/TiAlON/Si₃N₄ tandem absorber has been characterized by spectroscopic ellipsometry in the wavelength range of 450-1200 nm. Each layer of the tandem absorber viz., TiAlN, TiAlON and Si₃N₄ has been deposited separately on copper substrate (Cu) and ellipsometric measurements have been carried out on each of these layers. The measured ellipsometric spectra were fitted with theoretically simulated spectra and the sample structure and wavelength dispersion of optical constants of each layers have been determined. The ellipsometric measurements have also been carried out on the three-layer tandem absorber deposited on Cu substrate. By analyzing the ellipsometric data, depth profiling of the tandem absorber has been carried out using the derived optical constants of the individual layers.     

落管中Pd77.5Au6Si16.5合金的固化动力学亚稳相的形成

研究了落管中Pd_77.5Au₆Si_16.5合金的过冷、生核及亚稳相的形成。在小于400μm的金属小球中发现Pd的固溶体相;在较大的金属小球中则观察到Pd₃Si金属间化合物相。本文还在经典生核理论的基础上,计算了不同相的固液自由能差、成核功、生核速率及晶体生长速度随温度的变化关系,并由此得到时间-温度-转变曲线(t-T-t),计算与实验结果较为一致。 关键词：