The effect of Me-Ti inter-atomic interactions on wetting in CaF2/(Me-Ti) systems: Ab-initio considerations

CaF₂ is a thermodynamically stable, non-reactive compound, displaying a relatively high contact angle with pure liquid metals. A remarkable decrease of this contact angle takes place when small amounts of Ti are added to liquid In, while a relatively small change of the contact angle is observed when it was added to liquid Sn. In order to understand the reason for this different behavior, ab-initio calculations were carried out in the framework of Density Functional Theory. The effect of the In-Ti and Sn-Ti inter-atomic interactions in the vicinity of CaF₂(1 1 1) slab is discussed using the results of modest calculations for several Me-Ti configurations on CaF₂(1 1 1) slabs. The results of the calculations indicate that the level of the interaction between the Me and the Ti atom affects the (Me-Ti)/CaF₂ interface composition, the interfacial energy and the wetting behavior.For the system with stronger inter-atomic attraction in the melt (Sn-Ti alloys), Ti atoms prefer to be surrounded by Sn atoms, and only weakly affect the metal/substrate interfacial energy and, thus the observed contact angle. However, for weak inter-atomic attraction (In-Ti alloys) an enhanced Ti adsorption at the metal/substrate interface takes place and leads to decrease the interfacial energy and improved wetting. The differences in the wetting behavior for these systems are discussed in terms of the total energy of each system, the electron charge re-distribution and the electron Density of States.     

Adhesion of elastic films on mound rough surfaces

In this work, we have investigated the adhesive behaviour of elastic films in contact with solid substrates, which are bounded by mound surface roughness. This type of roughness is described by the rms roughness amplitude w, the average mound separation Λ, and the system correlation length ζ. It is shown that both lateral roughness parameters Λ and ζ strongly influence adhesive characteristics. Indeed, with increasing elastic film modulus E, film adhesion is only possible for sufficiently large mound separations Λ. Moreover, the critical elastic modulus E_c (for which spontaneous film decohesion takes place for E>E_c) is shown to increase fast with increasing mound separation Λ when Λ?ζ, while as a function of the system correlation length ζ it increases relatively fast when ζ?Λ.     

Magnetic interface-anisotropy of amorphous iron in contact with nonmagnetic metals

The magnetic properties of very thin ferromagnetic Fe films (1–10 atomic layers) in contact with nonmagnetic amorphous metals are investigated. Apart from the demagnetization energy, which supports a magnetization in the film plane, an energy of magnetic anisotropy occurs in the interlayer, which has the tendency to turn the magnetization perpendicular to the surface. The anomalous Hall effect of the ferromagnetic films is used to investigate their magnetic properties. From the measurements we get the applied magnetic fieldB _s , which is necessary to turn the magnetization perpendicular to the film surface.B _s is, besides a constant term, proportional to 1/d, which is typical of surface effects and yields the energy of the interface anisotropy. The value of this energy is strongly dependent on the nonmagnetic metal and is smaller for the system Pb/Fe than for Sn/Fe. Furthermore, the experimental results show no drastic reduction of the atomic magnetic moment in the surface layer.     

Die Übergangstemperatur der Supraleitung verschiedener Metalle unter dem Einfluß sehr dünner Oxydschichten

The superconducting transition of thin films of Al, In, Tl, Pb, Sn, and Ga⁺ is investigated by resistance measurements before and after the low temperature oxidation of the surface. The films are condensed onto a crystalline quartz plate to a thickness of about 100 Å or less at a temperature of mostly 105 °K. The oxidation process below 40 °K was described in a previous paper. After a theory ofMott, it may be understood by the tunneling of electrons from the metal to some acceptor levels of the oxygen molecules at the outside of the oxide layer. This way, a strong electric field arises which, on the one hand, facilitates the motion of metal ions outwards to form oxide molecules and, on the other hand, is suspected to affect the transition temperature. The experimental results show a shift of the transition to higher temperatures with the metals Al, In, and Tl, however, with the metals Sn, Pb, and Ga⁺ to lower temperatures. These results agree qualitatively very well with direct measurements of the influence of surface charges on the superconducting transition of Sn and In byGlover andSherrill. TheT _c -shift depends clearly upon the film thickness and amounts to about 0.3 to 0.4 °K for the thinnest films used. Some experiments are undertaken in order to prove the existence of the electric field. Removing the residual oxygen molecules on top of the oxide layer destroys the acceptor levels and causes a reduction of the transition temperature to the value observed with the oxygen free film. As expected, the thickness of the oxide layer is not important for the magnitude of theT _c shift.     

Co on thin Al2O3 films grown on Ni3Al(1 0 0)

The growth of Co on thin Al₂O₃ layers on Ni₃Al(1 0 0) was investigated by Auger electron spectroscopy, high resolution electron energy loss spectroscopy (EELS), and scanning tunneling microscopy. At 300 K, Co grows in three-dimensional clusters on top of the Al₂O₃ layer. A defect structure of the alumina layer plays a crucial role during the early stage of Co growth. After deposition of 10 Å of Co, a complete screening of the dipoles of the Al₂O₃ layer due to the Co film is found in the EELS measurements. Annealing the Co film reveals a process of coalescence of Co clusters and, above 700 K, diffusion of the Co atoms through the oxide film into the substrate takes place.     

fcc金属表面能的各向异性分析及表面偏析的预测

本文将元素变量(φ^*和n_WS)和MAEAM相结合,从原子尺度上对10种fcc金属Cu,Ag,Au,Ni,Pd,Pt,Rh,Al,Ir和Pb的38个不同晶面的表面能进行模拟计算及各向异性分析. 结果表明,fcc金属的密排面(111)的表面能最小,则该晶粒取向优先生长,与实验结果和第一原理的LMTO-ASA计算结果一致;各个晶面的表面能均随着其他晶面与(111)晶面的夹角cosθ_(hkl)的增长而呈线性 关键词： FCC金属 MAEAM 表面能 表面偏析     

Surface acoustic wave device properties of (B, Al)N films on 128° Y-X LiNbO3 substrate

A c-axis orientated aluminium nitride (AlN) film on a 128° Y-X lithium niobate (LiNbO₃) surface acoustic wave (SAW) device which exhibit a large electromechanical coupling coefficient (k²) and a high SAW velocity property, is needed for future communication applications. In this study, a c-axis orientated (B, Al)N film (with 2.6 at.% boron) was deposited on a 128° Y-X LiNbO₃ substrate by a co-sputtering system to further boost SAW device properties. The XRD and TEM results show that the (B, Al)N films show highly aligned columns with the c-axis perpendicular to the substrate. The hardness and Young's modulus of (B, Al)N film on 128° Y-X LiNbO₃ substrates are at least 17% and 7% larger than AlN films, respectively. From the SAW device measurement, the operation frequency characteristic of (B, Al)N film on 128° Y-X LiNbO₃ is higher than pure AlN on it. The SAW velocity also increases as (B, Al)N film thickness increases (at fixed IDT wavelength). Furthermore, the k² of (B, Al)N on the IDT/128° Y-X LiNbO₃ SAW device shows a higher value than AlN on it.     

Silicidation in Ni/Si thin film system investigated by X-ray diffraction and Auger electron spectroscopy

Silicide formation induced by thermal annealing in Ni/Si thin film system has been investigated using glancing incidence X-ray diffraction (GIXRD) and Auger electron spectroscopy (AES). Silicide formation takes place at 870 K with Ni₂Si, NiSi and NiSi₂ phases co-existing with Ni. Complete conversion of intermediate silicide phases to the final NiSi₂ phase takes place at 1170 K. Atomic force microscopy measurements have revealed the coalescence of pillar-like structures to ridge-like structures upon silicidation. A comparison of the experimental results in terms of the evolution of various silicide phases is presented.     

Study of Ni/Si(1 0 0) solid-state reaction with Al addition

The characteristics of Ni/Si(1 0 0) solid-state reaction with Al addition (Ni/Al/Si(1 0 0), Ni/Al/Ni/Si(1 0 0) and Al/Ni/Si(1 0 0)) is studied. Ni and Al films were deposited on Si(1 0 0) substrate by ion beam sputtering. The solid-state reaction between metal films and Si was performed by rapid thermal annealing. The sheet resistance of the formed silicide film was measured by four-point probe method. The X-ray diffraction (XRD) was employed to detect the phases in the silicide film. The Auger electron spectroscopy was applied to reveal the element profiles in depth. The influence of Al addition on the Schottky barrier heights of the formed silicide/Si diodes was investigated by current-voltage measurements. The experimental results show that NiSi forms even with the addition of Al, although the formation temperature correspondingly changes. It is revealed that Ni silicidation is accompanied with Al diffusion in Ni film toward the film top surface and Al is the dominant diffusion species in Ni/Al system. However, no Ni_xAl_y phase is detected in the films and no significant Schottky barrier height modulation by the addition of Al is observed.     

氧化铝与Al(100)基体间界面原子结构研究

本文介绍了用MeV离子散射和沟道效应研究单晶铝表面无定型氧化层与基体之间界面原子结构的方法。报道了Al₂O₃/Al(100)界面原子结构的实验结果。实验表明,在纯氧气氛围中400℃下生成的氧化铝膜,铝和氧原子浓度比例严格为2与3之比;Al₂O₃膜和Al(100)基体之间的界面极其陡峭,氧化铝膜下Al(100)基体表面的再构层不大于一个原子层。由实验测量与用Monte Carlo方法计算结果比较,得到再构层原子离开原来晶 关键词：     

Interface interaction and wetting of Sc<Subscript>2</Subscript>O<Subscript>3</Subscript> exposed to Cu–Al and Cu–Ti melts

Scandia is a thermodynamically stable oxide and could be used as a structural material for a crucible in order to avoid a melt contamination. In the present study wetting experiments of Cu–Al and Cu–Ti melts on Scandia substrate were preformed at 1423 K by a sessile drop method. It was established that Al and Ti additions lead to the improved wetting and that the final contact angle decreases with increasing the additives concentration. For Al containing melts, the contact angle changes gradually with time, and a relatively thick interaction layer, which consists of Al₂O₃, Sc₂O₃, and metallic channels, was formed at the Sc₂O₃/Cu–Al interface. For Ti containing melts, the final contact angle is achieved already during heating, and an extremely thin layer based on a Ti–Sc–O compound was detected by AES at the Sc₂O₃/Cu–Ti interface. The results of a thermodynamic analysis, which takes into account the formation free energy of the oxides, involved in the systems, and the thermodynamic properties of the liquid solutions are in a good agreement with the experimental observations.     

Microscopic theory of covalent-ionic transition at metal-semiconductor interfaces

The microscopic mechanism responsible for the reduction of Schottky barrier heights at interfaces between metals and covalent semiconductors is not effective at similar interfaces between metals and ionic semiconductors. The critical polarizability ?_cat which the transition between one regime and the other takes place is calculated theoretically to be 7, in good agreement with experimental values of 5 to 6.     

Effect of Al content on the properties of Cr1−xAlxC films prepared by RF reactive magnetron sputtering

Cr_1−xAl_xC films were deposited on high-speed steel by RF reactive magnetron sputtering. In this study, we aimed to identify the effect of the Al content on the properties of Cr_1−xAl_xC films. We found that Cr_1−xAl_xC films exhibited a fine columnar grain microstructure with some special characteristics, such as high hardness of Hv 1426, a low friction coefficient of 0.29, and a large contact angle of 90° for x = 0.18. Furthermore, an increase in Al content resulted in a decrease in film hardness and an increase in contact angle. Moreover, on annealing at 923 K, the mechanical properties of the films improved and a dense protective film of complex Cr₂O₃ and Al₂O₃ oxides was formed on the surface for better wear resistance, which will ultimately increase the lifetime of the high-speed steel substrate.     

X-ray photoelectron spectroscopy and magnetism of Mn1−xAlxNi alloys

X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), magnetization and magnetic susceptibility of Mn_1−xAl_xNi alloys are reported. A change in the crystallographic structure takes place around x=0.4 from CuAuI to CsCl (B2) structure type. For x0.5 a mixed B2+L2₁ state exists which incorporates antiferromagnetic (B2) and ferromagnetic (L2₁) parts. A direct evidence for the existence of local moments on Mn sites in Mn_1-xAl_xNi alloys is given by the exchange splitting of XPS Mn 3s and Mn 2p3/2 core levels. The gradual filling of the Ni 3d band as the Al concentration increases can be explained by the hybridization of the Ni 3d band and Al 3sp states.     

Electronic structure for sliding charge density waves

We present a model for the electron system in NbSe₃ based on its quasi one-dimensional metallic properties. In a one-dimensional metal phonon drag of 2K_F-phonons takes place at temperatures higher than θ_D, since the phonon-electron scattering rate τ^?1_ph?el is greater than the phonon-phonon rate τ^?1_ph?ph. this situation is in contrast to the situation in three dimensional metals, where phonon drag takes place only at very low temperatures. Our model explains the transport properties of the material including the electrical conductivity anistropy, the conductivity in a strong electric field, and the Hall effect data.     

Magnetic,electronic and electron spin resonance studies of the (Gd1−xYx)Ni2 compounds

Magnetization, electron spin resonance and heat capacity measurements have been made on the (Gd_1-xYx)Ni₂ compounds. Magnetization measurements reveal a moment deficiency for gadolinium in this series. In GdNi₂ a value of 6.92μ_B is obtained for the gadolinium moment, which decreases further with yttrium substitution. In the concentration range 0.2 ⩽ x ⩽ 0.8 the samples show features seen in inhomogeneous ferromagnets.The ESR measurements reveal a negative g-shift and a very shallow ESR bottleneck in this system.The specific heat of the samples in the concentration range 0.2 ⩽ x ⩽ 0.8 show complex behaviour: downturn at low temperatures in the usual (C/T) against T² graphs, anomalously large γ-values and so on. In the remaining compounds the specific heat shows normal behaviour. At the YNi₂ end of the series a rapid increase in the host density of state takes place when gadolinium is substituted for yttrium.     

Enhancement of the electron-stimulated desorption from amorphous aluminum oxide films on silicon during an increase in the substrate temperature

The effect of high-temperature electron-stimulated desorption (ESD) from 20-nm-thick Al₂O₃ films deposited onto silicon wafers is studied. The ESD effect is found to be significantly enhanced upon heating. The films are found to decompose during ion beam irradiation of a heated substrate resulting in pure Al appearance. This process is accompanied by the formation of islands and almost pure silicon surface regions at a certain critical irradiation dose. Outside the irradiation zone, a 20-nm-thick Al₂O₃ film remains continuous even upon heating to 700°C and holding for 90 min. The effect of the primary electron beam energy on ESD from a 20-nm-thick Al₂O₃ film on silicon is investigated, and the parameters at which ESD takes place or absent are determined.     

Theoretical study of surface plasmons coupling in transition metallic alloy 2D binary grating

The excitation of a surface plasmon polariton (SPP) wave on a metal–air interface by a 2D diffraction grating is numerically investigated. The grating consists of homogeneous alloys of two metals of a formula A_xB_1−x, or three metals of a formula A_xB_yC_z, where A, B and C could be silver (Ag), copper (Cu), gold (Au) or aluminum (Al).It is observed that all the alloys of two metals present a very small change of surface plasmon resonance (SPR) irrespective of composition x. Moreover, the addition of 25% of Al to two metals alloy is insufficient to change the SPR curves. The influence of the different grating parameters is discussed in details using rigorous coupled-wave analysis (RCWA) method. Furthermore, the SPR is highly dependent on grating periods (d_x and d_y) and the height of the grating h. The results reveal that d_x= d_y= 700 nm, h=40 nm and duty cycle w=0.5 are the optimal parameters for exciting SPP.     

Ordering behaviors of the F.C.C. and B.C.C. phase alloys in the InMg,LiMg and AlZn systems

Expressions of the band-structure energy and the electrostatic energy characterized by the usual long-range and short-range order parameters are given to a binary alloy of simple metals with the f.c.c.-type or b.c.c.-type structure.The ordering energy and the local ordering energy are calculated for the InMg, LiMg and AlZn systems. The numerical results explain successfully the facts that the InMg system has the Ll₀-type and Ll₂-type ordered phases, each of which exists over a wide range of concentration and that the LiMg system has a local order with a negative short-range order parameter, while the AlZn system has that with the positive one. A lattice distortion in the Ll₀-type ordered structure of InMg is also discussed.     

Effect of thermal annealing on ohmic contacts properties of undoped and Si-doped AlxGa1−xN on Si (1 1 1) substrate grown by PA-MBE

In this work, we study the ohmic contact properties of titanium (Ti)/aluminum (Al) bi-layer contacts on undoped and n-type doped Al_xGa_1−xN grown on silicon (1 1 1) substrates by radio frequency nitrogen plasma-assisted molecular beam epitaxy (PA-MBE). The electrical stability of the contacts at various annealing temperatures of 400, 500, 600 and 700 °C were investigated. Specific contact resistivity was determined using transmission line method (TLM) and current–voltage (I–V) measurements. The results reveal that the bi-layer scheme was sensitive to the change of annealing temperatures and annealing time. The optimal value of specific contact resistivities was obtained at annealing temperature of 600 °C for both samples. However, the values of n-type doped sample exhibited better results compared with the undoped sample.