Mo纳米薄膜热力学性质的分子动力学模拟

采用改进嵌入原子法(MAEAM),通过经典的分子动力学(MD)模拟计算了高熔点过渡金属体心立方(bcc) Mo块体Gibbs自由能和表面能. 对于纳米薄膜的热力学数据,比如Gibbs自由能等,可以看成是薄膜内部原子和表面原子两部分数据之和,然后根据薄膜的体表原子之比就可以直接计算出总的自由能,并由此可以得到热力学性质与薄膜尺寸及温度的定量关系式. 分别计算了bcc Mo块体及其纳米尺寸薄膜的自由能和热容,结果表明,Mo纳米薄膜的热力学性质具有尺寸效应,并且在薄膜尺寸小于15—20nm时,这种效应变得非常明 关键词： 改进嵌入原子法 Mo纳米薄膜 表面自由能 热容     

Influence of oxygen depletion layer on the properties of tin oxide gas-sensing films fabricated by atomic layer deposition

In this paper we report on the influence of film thickness on the electrical and gas-sensing properties of tin oxide thin films grown by atomic layer deposition (ALD) technique. The nature of the carrier and post-flow gases used in ALD was found to have a dramatic influence on the electrical conductance of the deposited films. Up to a film thickness of 50 nm the sheet conductance of the films increased with the thickness, and above 50 nm the sheet conductance was not significantly influenced by the film thickness. This effect was attributed to oxygen depletion at the film surface. When the depth of oxygen depletion (d _dep) was greater than or equal to the film thickness (t), the sheet conductance was thickness dependant. On the other hand, when d _dep≤t, the sheet conductance was independent of the film thickness but depended on the depth of the oxygen depletion. This proposed explanation was verified by subjecting the films to different lengths of post-annealing in an oxygen depleted atmosphere. Gas-sensing functionality of the films with various thicknesses was examined. It was observed that the film thickness had a significant influence on the gas-sensing property of the films. When the thickness was greater than 40 nm, the sensitivity of the films to ethanol was found to follow the widely reported trend, i.e., the sensitivity decreases when the film thickness increases. Below the film thickness of 40 nm the sensitivity decreases as film thickness decreases, and we propose a model to explain this observation based on the increase in resistance due to multiple grain boundaries.     

Structural and superconducting properties of ion beam sputtered Nb thin films and Nb/Cu bilayers

We present the results of a study of structural and superconducting properties of polycrystalline Nb thin films (200 Å, 300 Å, 400 Å, 700 Å and 1000 Å) and Nb/Cu bilayers (300 Å/300 Å and 400 Å/300 Å) prepared on Si substrates by ion beam sputtering at room temperature. The thicknesses, roughnesses at the surfaces and interfaces were determined by X-ray reflectivity whereas the grain sizes were determined from grazing incidence X-ray diffraction and transmission electron microscopic studies. The superconducting transition temperature (T_C) of Nb thin films are smaller than T_C of bulk Nb. The Nb-200 Å sample does not show T_C down to 2.3 K. The average size of the grains varies from 42 Å for Nb-200 Å sample to 69 Å for Nb-1000 Å sample. Our results show that the T_C in these polycrystalline films is not only limited by its thickness but also by the size of the grains. The Nb films deposited in situ on the Cu layer (Nb/Cu) show a marginal increase in average sizes of the grains as compare to their respective values in Nb films of same thicknesses. As a result a marginal increase in T_C of these films is also observed. The maximum decrease in T_C due to oxygen intake during deposition should be about 0.5 K from its bulk value (9.28 K). We have attributed the large decrease in T_C in our case on the basis of decrease in the Debye temperature and density of states at the Fermi level for Nb thin films as compared to their respective values for bulk Nb.     

Study for dual-function EUV multilayer mirror

Studying the distribution of He⁺ in Earth's plasmasphere by detecting its resonantly scattered emission at 304 Å will record the structure and dynamics of the cold plasma in Earth's plasmasphere on a global scale. EUV imaging systems usually utilizes near-normal incidence optics including multilayer mirror and filter. In this paper, the space condition of the Earth's plasmasphere to confirm the expected performance of mirror were analyzed. In order to achieve higher response at 304 Å and reduce 584 Å radiation for the optical system, a new multilayer coating of Mo/Si with UO₂ was developed. Based on optical constants of Mo, Si and UO₂, we used a simplest method to compute the reflectance of this new multilayer mirror range from 100 to 584 Å. The results show the desirable thickness of UO₂ is 17 Å, and the multilayer mirror has a high reflectance of 26.10% at 304 Å and a low reflectance of 0.52% at 584 Å.     

Peak effect in surface resistance at microwave frequencies in Dy-123 thin films

A pronounced peak in the microwave (at frequency 9.55 GHz) surface resistance, R _s vs. T plot (where T is the temperature) has been observed in epitaxial DyBa₂Cu₃O_7−y superconducting thin films in magnetic fields (parallel to c-axis) in the range 2 to 8 kOe, and temperatures close to the superconducting transition temperature T _c(H). Our data suggest that the nature of peaks observed in the two films is different, thereby indicating different defect structures in the films.     

An influence of deposition temperature on structural,optical and electrical properties of sprayed ZnO thin films of identical thickness

Nanocrystalline ZnO thin films were deposited at different temperatures (T_s = 325 °C–500 °C) by intermittent spray pyrolysis technique. The thickness (300 ± 10 nm) independent effect of T_s on physical properties was explored. X-Ray diffraction analysis revealed the growth of wurtzite type polycrystalline ZnO films with dominant c-axis orientation along [002] direction. The crystallite size increased (31 nm–60 nm) and optical band-gap energy decreased (3.272 eV–3.242 eV) due to rise in T_s. Scanning electron microscopic analysis of films deposited at 450 °C confirmed uniform growth of vertically aligned ZnO nanorods. The films deposited at higher T_s demonstrated increased hydrophobic behavior. These films exhibited high transmittance (>91%), low dark resistivity (～10^?2 Ω-cm), superior figure of merit (～10^?3 Ω^?1) and low sheet resistance (～10² Ω/□). The charge carrier concentration (η -/cm³) and mobility (μ – cm²V^?1s^?1) are primarily governed by crystallinity, grain boundary passivation and oxygen desorption effects.     

Superconductivity and normal electrical conductivity of amorphous lead films nucleated with molybdenum

Lead films vapor quenched onto nucleating monolayers of Mo or W exhibit strong lattice disorder and can be considered to be amorphous. The amorphous-to-crystalline transformation temperatureT _tr is indicated by a sharp drop of the electrical resistivity in the course of annealing.T _tr is found to be proportional tod ^–2 for Pb thicknessd smaller than 30 nm. The superconducting transition temperatureT _c is by 0.6 to 1 K smaller in the amorphous state than after crystallization. In both states,T _c is proportional tod ^–1. Prenucleation with about half a monolayer of Mo leads to quite the sameT _c depression as observed earlier by Strongin et al. on Pb films vapor quenched onto predeposited films of SiO, Ge or Al₂O₃. For comparison, experiments have been carried out with 2.5 nm Ge predeposits. As with Mo prenucleation, a well defined transformation temperatureT _tr of about the same value has been observed.T _c of bulk amorphous Pb can be extrapolated to be about 6.6 K.     

Measurement of the impedance of very thin superconducting YBaCuO films at 10 GHz with a cavity perturbation method between 4 and 300 K

We have measured the complex film impedance 1/σd (σ conductivity, d film thickness) of three YBaCuO thin films with d = 44, 115, and 168 nm on MgO substrates at 10.2 GHz in the temperature range between 300 and 4 K. Below T_c, the experimental results are discussed in terms of the two-fluid model and the BCS theory. The residual resistance decreases with the film thickness. The thinnest film has a residual surface resistance of 3 · 10^?4 Ω. For this film, the complex microwave conductivity is calculated and compared with the models. Apart from the residual resistance, the measured conductivity is in agreement with the peak caused by the energy gap of the BCS theory. All measurements were performed with a cavity perturbation method which we have to our knowledge applied for the first time to superconducting thin films. The method allows to determine the complex impedance of films with arbitrary thickness. In particular, films with thicknesses small compared to the skin depth δ or the London penetration depth λ can be measured. Therefore, we are able to measure the impedance both in the normal and superconducting state.     

Improvement of corrosion resistance of carbon steel using chemical vapor deposition from the mixture of Mo(CO)6 and Cr(CO)6 with an ArF-excimer laser

The corrosion resistance of carbon steel has been improved by the deposition from the mixture of Mo(CO)₆ and Cr(CO)₆ as well as from each carbonyl alone with an ArF-excimer laser (193 nm). The corrosion resistance attained by coating with the films from the mixture is higher than from Mo(CO)₆ alone, while lower than from Cr(CO)₆ alone. While the corrosion resistance increases with beam intensity monotonically over the range 4–25 MW cm^–2 for the deposition from Cr(CO)₆ alone, it tends to decrease slightly above 15 MW cm^–2 for the deposition from Mo(CO)₆ alone and from the mixture. SEM (Scanning Electron Microscope) photographs show that the films from each carbonyl and their mixture consist of small grains that are more densely packed at higher beam intensities. The comparison of the film thickness evaluated from sputtering time to remove the films with that from direct observation with SEM suggests that the density of the film increases with beam intensity. In the films deposited from the mixture, molybdenum is preferentially incorporated from the gas phase. Present name: Department of Quantum Engineering and Systems Science     

Correlation between structural and superconducting properties of nano-granular disordered Nb thin films

We report on low temperature transport measurements on nano-granular Nb thin films deposited on Si (1 0 0) substrates using DC magnetron sputtering. The superconducting transition temperature (T_c) is found to decrease monotonically with the increase of the lattice parameter (a) irrespective of its thickness and grain size. The superconducting transition temperature is found to depend only on the lattice parameter whereas the normal state resistivity depends both on lattice parameter and the details of the sample morphology. We have modeled this T_c variation with lattice expansion in terms of Debye temperature reduction using Morse potential as the interatomic potential in Nb.     

Description of R × T dimensional dependence of YBCO samples with a percolation model

In this work we report the dimensional dependence of local properties of polycrystalline and top seeded melting textured YBa₂Cu₃O_7?x/Ag superconducting samples. The cross sectional area of superconducting bars was successively decreased and the resistance–temperature (R × T) curves for different cross section area was obtained. The results show that for a given current, the R × T curves, specially the onset of zero resistance (T_C0), are dependent on the bridges dimensions. The results obtained are in accordance with a percolation model considering a random mixture of normal and superconducting elements.     

Anisotropic distributions of electrical currents in high-<Emphasis Type="Italic">T</Emphasis><Subscript><Emphasis Type="Italic">c</Emphasis></Subscript> grain-boundary junctions

We developed a self-consistent method for the calculation of spatial current distributions in high-T _c grain-boundary junctions. It is found that crystallographic anisotropy of high-T _c superconducting electrodes results in the effects, which previously were not taken into account for interpretations of experimental data. Among them is a significant redistribution of electrical currents in superconducting electrodes in the vicinity of a grain boundary. In particular in the case of [100]-tilt bicrystal junctions, this current redistribution results in a substantial focusing to the top or bottom part of a thickness of the grain boundary, depending on “roof”- or “valley”-type of the grain boundary. This redistribution is accompanied by generation of vortex currents around the grain boundary, which leads to self-biasing of grain-boundary junctions by magnetic field nucleated by these vortex currents. It is shown that twinning or variation of geometrical shape of the high-T _c electrode may also result in intensive redistribution of electrical currents and nucleation of local magnetic fields inside a high-T _c superconducting electrodes.     

Surface morphology of sputter deposited low melting point metallic thin films

This paper describes the development of surface morphology of thin InSn(90/10), In, Sn and Cr films, deposited on unheated glass substrates by d.c. magnetron sputtering, with the film thickness. The experiments show that the surface morphology of metallic films with low melting pointsT _m[InSn(90/10)–150°C, In–156.6°C, Sn–231.8°C] and that with high melting pointT _m [Cr–1875°C] strongly differ. InSn(90/10) and Sn films with thickness greater than about 30 nm and also In films with even lower thickness of about 20 nm have a rough surface, milky color and matt appearance. On the contrary, Cr films of the same thickness have a smooth and shiny surface. It is due to a large difference in normalized temperaturesT/T _m for low-T _m films [Sn–0.59, In–0.70, InSn(90/10) –0.71] and for high-T _m films [Cr–0.14] deposited at low temperatures close to room temperature (RT). High values of the ratioT/T _m>0.5 clearly indicate that just the low melting point materials can crystallize at low temperatures close to RT. A crystallization of lowT _m films results in rough surface, milky color and matt appearance of these films.This work was supported in part by the Grant Agency of Czech Republic under Grant No. 202/93/0508.     

Pulsed laser deposition conditions and superconductivity of FeSe thin films

We report the effects of growth conditions on the superconducting properties of FeSe films epitaxially grown on LaAlO₃ substrates by pulsed laser deposition (PLD). Customary materials characterization techniques [X-ray diffraction (XRD), in-situ X-ray photoelectron spectroscopy (XPS), in-situ ultra-violet photoelectron spectroscopy (UPS), and scanning electron microscopy (SEM)] revealed the films had a c-axis oriented tetragonal structure with lattice constants dependent on the growth temperature (varied from 100 to 600°C). The standard four-point probe method was used to measure the resistivity and superconducting transitions. Films grown at 400–550°C showed a clear superconducting onset but no zero resistance down to 2 K. The highest superconducting onset temperature (T_c^onsetT_{\mathrm{c}}^{\mathrm{onset}}) of 8 K was observed in films grown at 500°C and the onset temperature was clearly correlated to the ratio of the lattice constants (c/a). As the thickness of the FeSe films increased from 27 nm to 480 nm, T_c^onsetT_{\mathrm{c}}^{\mathrm{onset}} also increased as the strain in the system was relaxed.     

准分子激光扫描消融淀积大尺寸超导薄膜

利用我们设计的一套光学变换传输系统实现了激光束在超导靶上一定范围内扫描消融来淀积高T_c超导薄膜。实验表明用这种激光扫描消融方法可使大尺寸超导薄膜的厚度均匀性得到较大的改善。我们采用激光扫描半径为9mm在12mm×33mm的Y-ZrO₂基片上淀积出零电阻温度T_c≥90K,临界电流密度J_c(零磁场,77K)≥1×10⁶A/cm²,薄膜c轴择优取向,厚度均匀性较好的YBa _关键词：     

High-T c superconducting Bi−Sr−Ca−Cu−O thin films prepared by laser-induced plasma deposition

High-T _c superconducting thin films of Bi–Sr–Ca–Cu oxides were prepared by laser-induced plasma deposition of high-T _c superconducting Bi₂Sr₂Ca₁Cu₂O_x and Bi₂Sr₂Ca₂Cu₃O_x targets in vacuum and a short post-annealing in air at 875°C. Thin films (thickness <500 nm) with a critical temperatureT _c -onset of 95 K can be prepared on silicon substrate material with a SrTiO₃ interface layer. The thin films were completely superconducting between 80 and 90 K. The stoichiometry transfer of superconducting target material by laser-induced plasma deposition was investigated.     

Proximity effect in Nb/Zr multilayers with variable Nb/Zr ratio

We have investigated the effect of varying the individual layer thickness on the superconducting transition temperature (T_C) of Nb/Zr multilayers. These thin film multilayer structures were deposited using UHV magnetron sputtering with layer thickness ranging from 0.5 to 8 nm. In conformity with the predictions of the de Gennes equations in the Cooper limit (layer thickness small compared to coherence length), we find that the T_C increases with increasing thickness of the Nb layer (when the Zr layer thickness is constant), and decreases with increasing thickness of the Zr layer (when the Nb layer thickness is constant). The possible effect of the existence of an interfacial Nb-Zr layer is discussed. We also point out the marked influence of the in-plane grain dimension on the T_C in these multilayers.     

MgB2 thick films with remarkable ductility on stainless steel substrate

We fabricated several superconducting MgB₂ thick films on stainless steel (SS) substrates by using hybrid physical-chemical vapor deposition (HPCVD) technique. The thickness was in the 10μm to 20μm range, and the onset critical transition temperature T _c (onset) and the width of the superconducting transition (ΔT) were about 37.8 and 1.2 K. They were dense and textured along (101) direction with high tenacity, despite the existence of a little amount of MgO and Mg. We bent the films at different degrees and studied the ductility and transport properties of these MgB₂ thick films under applied force. The results demonstrated that the superconducting properties of these thick films, prepared by HPCVD, stay almost unaffected even with the films bent to a large degree with a curvature of 0.5 mm. This indicated that the superconducting wires or tapes of MgB₂ with a core of SS had the advantages of avoiding rigidity and brittleness in industrial handling. The technique of HPCVD has, therefore, a high application potential. __________ Translated from Chinese Journal of Low Temperature Physics, 2005, 27(2) (in Chinese)     

Determination of the optimal parameters for the fabrication of ZnO thin films prepared by spray pyrolysis method

In this work, ZnO thin films have been prepared by spray pyrolysis deposition method on the glass substrates. The effect of deposition parameters, such as deposition rate, substrate temperature and solution volume has been studied by X-ray diffraction (XRD) method, UV–Vis–NIR spectroscopy, scanning electron microscopy (SEM), and electrical measurements. The XRD patterns indicate polycrystalline wurtzite structure with preferred direction along (0 0 2) planes. Thin films have transparency around 90% in the visible range. The optical band gap was determined at 3.27 eV which did not change significantly. Evolution of electrical results containing the carriers’ density, sheet resistance and resistivity are in agreement with structural results. All the results suggest the best deposition parameters are: deposition rate, R = 3 ml/min, substrate temperature, T _s = 450°C and thickness of the thin films t = 110–130 nm.     

Superparamagnetic Ni:SiO<Subscript>2</Subscript>–C nanocomposites films synthesized by a polymeric precursor method

In this work, we report on the magnetic properties of nickel nanoparticles (NP) in a SiO₂–C thin film matrix, prepared by a polymeric precursor method, with Ni content x in the 0–10 wt% range. Microstructural analyses of the films showed that the Ni NP are homogenously distributed in the SiO₂–C matrix and have spherical shape with average diameter of ~10 nm. The magnetic properties reveal features of superparamagnetism with blocking temperatures T _B ~ 10 K. The average diameter of the Ni NP, estimated from magnetization measurements, was found to be ~4 nm for the x = 3 wt% Ni sample, in excellent agreement with X-ray diffraction data. M versus H hysteresis loops indicated that the Ni NP are free from a surrounding oxide layer. We have also observed that coercivity (H _C) develops appreciably below T _B, and follows the H _C ∝ [1 – (T/T _B)^0.5] relationship, a feature expected for randomly oriented and non-interacting nanoparticles. The extrapolation of H _C to 0 K indicates that coercivity decreases with increasing x, suggesting that dipolar interactions may be relevant in films with x > 3 wt% Ni.