Monte Carlo study on bilayer thin films magnetic properties dependence with discontinouos anisotropy parameters

In the last few years there has been significant interest in the field of thin films, due to numerous specific phenomena related to the low dimension of these systems, and to the large opportunities in development of high technologies based on their specific magnetic and electronic properties. When dealing with systems of reduced dimensionality it is important to take into account the influence of magnetic anisotropies. In this paper we investigate the magnetic properties of bilayer thin film. This behavior is modeled using Monte Carlo simulations, in the Extended Anisotropic Heisenberg Model. The magnetization, out-of-plane and in-plane magnetic susceptibilities, and also the specific heat bearings according to temperature are investigated in order to find the potential magnetic ordering phases and the critical temperatures, for two sets parameter assignments. For quasi-uniform anisotropy parameters of the film we detect the ferromagnetism-paramagnetism transition and then, by changing the model parameters values, we relieve a short range ferromagnetic ordering phase arising from the antiferromagnetic base layer coupling influence and from easy-plane anisotropy discontinuity on the layers interface.      

Optimized growth and dielectric properties of barium titanate thin films on polycrystalline Ni foils

Barium titanate(BTO) thin films were deposited on polycrystalline Ni foils by using the polymer assisted deposition(PAD) technique.The growth conditions including ambient and annealing temperatures were carefully optimized based on thermal dynamic analysis to control the oxidation processing and interdiffusion.Crystal structures,surface morphologies,and dielectric performance were examined and compared for BTO thin films annealed under different temperatures.Correlations between the fabrication conditions,microstructures,and dielectric properties were discussed.BTO thin films fabricated under the optimized conditions show good crystalline structure and promising dielectric properties with εr～ 400 and tan δ < 0.025 at 100 kHz.The data demonstrate that BTO films grown on polycrystalline Ni substrates by PAD are promising in device applications.     

Morphology and photoluminescence study of electrodeposited ZnO films

ZnO films on ITO substrates and Au coated ITO substrates were fabricated by using electrodeposition technique. We carried out the experiments by adjusting the concentration of solution, potential, substrate, and temperature. The effect of temperature on the growth of the film has been examined. SEM images have shown that there are several kinds of grown competitions for the deposition of ZnO films, but three kinds of them are dominant. One is the discrete hexagonal column structure, the other is the pentagonal structure, and the third one is of well-oriented hexagonal columns with well-aligned structure. The explanation on the grown competition is discussed. ZnO hexagonal column structures with well-aligned and well-perpendicular to the surface were successfully obtained on Au/ITO substrate in aqueous solvent of electrolyte. Clearly the main columns in the film were obtained by increasing the temperature. Its photoluminescence (PL) study at low temperature exhibited the optical properties as wurtzite ZnO and indicated the existence of macrocrystalline ZnO. A better quality of ZnO columnar structures after annealing was demonstrated from PL analysis and discussion on the existence of 370 nm, 384 nm and 639 nm in the emission bands before and after annealing.     

A novel optical diagnostic technique for analyzing the recrystallization characteristics of polycrystalline silicon thin films following frontside and backside excimer laser irradiation

Excimer laser annealing (ELA) is a widely used technique for producing polycrystalline silicon (poly-Si) thin films. An optical inspection system with simple optical arrangements for rapid measurement of recrystallization results of poly-Si thin films is developed in this study. The recrystallization results after both frontside ELA and backside ELA can be easily visible from the profile of peak power density distribution using the optical inspection system developed with an optimized moving velocity of 0.312 mm/s of the specimen. The method of backside ELA is suggested for batch production of low-temperature polycrystalline silicon thin-film transistors due to higher laser beam utilization efficiency and lower surface roughness of poly-Si films.     

水在二氧化钚表面吸附行为的模拟

采用Kinetic Monte Carlo方法对水在PuO₂表面的吸附行为进行数值模拟研究,通过对Statebake,Haschke等的实验数据进行数值拟合得到水的脱附活化能:0~0.5层为200 kJ·mol^-1,0.5~1层为135 kJ·mol^-1,1~2层为47·6 kJ.mol^-1,2~3层为43.8 kJ·mol^-1,3层以后为41.1 kJ·mol^-1;采用这些参数对不同升温速率下的热脱附谱以及不同温度、水分压下的吸附等温线和等压线进行预测.     

Multilayer growth of BaTiO3 thin films via pulsed laser deposition: An energy-dependent kinetic Monte Carlo simulation

An energy-dependent kinetic Monte Carlo approach was proposed to simulate the multilayer growth of BaTiO₃ thin films via pulsed laser deposition, in which the four steps, such as the deposition of atoms, the diffusion of adatoms, the bonding of adatoms, and the surface migration of adatoms, were considered. Distinguishing with the traditional solid-on-solid (SOS) model, the adatom bonding and the overhanging of atoms, according to the perovskite structure, were specially adopted to describe the ferroelectric thin film growth. The activation energy was considered from the interactions between the ions, which were calculated by Born-Mayer-Huggins (BMH) potential. From the simulation the relative curves of the each layer coverage and roughness vs total coverage were obtained by varying the parameter values of the incident kinetic energy, laser repetition rate and mean deposition rate. The relationship between growth modes and the different parameters was also acquired.     

Structural and optical properties of electrodeposited molybdenum oxide thin films

Electrosynthesis of Mo(IV) oxide thin films on F-doped SnO₂ conducting glass (10-20/Ω/□) substrates were carried from aqueous alkaline solution of ammonium molybdate at room temperature. The physical characterization of as-deposited films carried by thermogravimetric/differential thermogravimetric analysis (TGA/DTA), infrared spectroscopy and X-ray diffraction (XRD) showed the formation of hydrous and amorphous MoO₂. Scanning electron microscopy (SEM) revealed a smooth but cracked surface with multi-layered growth. Annealing of these films in dry argon at 450 °C for 1 h resulted into polycrystalline MoO₂ with crystallites aligned perpendicular to the substrate. Optical absorption study indicated a direct band gap of 2.83 eV. The band gap variation consistent with Moss rule and band gap narrowing upon crystallization was observed.Structure tailoring of as-deposited thin films by thermal oxidation in ambient air to obtain electrochromic Mo(VI) oxide thin films was exploited for the first time by this novel route. The results of this study will be reported elsewhere.     

Structure and magnetism of electrodeposited ZnSe–Co granular films

ZnSe–Co granular films have been electrodeposited under potentiostatic condition on polished stainless steel substrates. X-ray diffraction and transmission electron microscopy measurements indicate the formation of polycrystalline granular films with Co particles dispersed in an ZnSe matrix without evidence of intermediate compound formation. Magnetic measurements reveal low values of coercive field and remanence, indicating that the overall magnetic response of the deposited films is determined by multidomain nanosized particles.     

Study on field-emission characteristics of electrodeposited Co-doped ZnO thin films

Co-doped ZnO films were fabricated using electrodeposition method on the ITO substrates. The structure of the Co-doped ZnO films was analyzed by X-ray diffraction and scanning electron microscope. The field-emission characteristics of the prepared Co-doped ZnO films were examined using diode structure in a vacuum chamber. The examined results indicate that the Co-doping cause the turn-on field increasing by increasing the concentration of the Co-dopant, probably due to the band gap changing, which could attributed to the sp-d exchange interactions between the band electrons and the localized d electrons of the Co²⁺ ions substituting Zn ions in the films.     

Preparation and characterization of electrodeposited SnS thin films

Tin sulfide (SnS) thin films have been deposited by electrodeposition using potentiostaic method on indium doped tin oxide (ITO) coated glass substrates from aqueous solution containing SnCl₂·2H₂O and Na₂S₂O₃ at various potentials. Good quality thin films were obtained at a cathodic potential −1000 mV versus saturated calomel electrode (SCE). The deposited films were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and Fourier transform infrared (FTIR). X-ray diffraction analysis shows that the crystal structure of SnS thin films is orthorhombic with preferential orientation along 〈0 2 1〉 plane. Microstructural parameters such as crystallite size, micro strain, and dislocation density are calculated and found to depend upon cathodic potentials. SEM studies reveal that the SnS films exhibited uniformly distributed grains over the entire surface of the substrate. The optical transmittance studies showed that the direct band gap of SnS is 1.1 eV. FTIR was used to further characterize the SnS films obtained at various potentials.     

Deposition pressure effect on the surface roughness scaling of microcrystalline silicon films

The scaling behaviour of surface roughness evolution of microcrystalline silicon (μc-Si:H) films prepared by very-high frequency plasma-enhanced chemical vapour deposition (VHF-PECVD) has been investigated by using a spectroscopic ellipsometry (SE) technique. The growth exponent β was analysed for the films deposited under different pressures P_g. The results suggest that films deposited at P_g = 70 Pa have a growth exponent β about 0.22, which corresponds to the definite diffusion growth. However, abnormal scaling behaviour occurs in the films deposited at P_g = 300 Pa. The exponent β is about 0.81 that is much larger than 0.5 of zero diffusion limit in the scaling theory. The growth mode of μ c-Si:H deposited at P_g= 300 Pa is clearly different from that of μc-Si:H at P_g = 70 Pa. Monte Carlo simulations indicate that the sticking process and the surface diffusion of the radicals are two key factors to affect the growth mode under different pressures. Under P_g= 300 Pa, β>0.5 is correlated with the strong shadowing effect resulting from the larger sticking coefficient.     

A computer simulation of nucleation and growth of thin films

~~A computer simulation of nucleation and growth of thin films~~     

What information can be obtained by RHEED applied on polycrystalline films?

In this paper, an analysis of reflection high-energy electron diffraction (RHEED) performed on polycrystalline films is presented. It is shown that it is possible to obtain qualitative and quantitative information about the crystallography of the deposit. Two series of test samples were used: (i) glass substrates recovered by Fe grains with a (200) fiber-like texture normal or inclined with respect to the surface normal, and (ii) the same films but with a (110) texture. These samples exhibit characteristic RHEED patterns. Using a simple model, it is possible to determine: (i) the texture of the film, (ii) the average angle of the texture axis with respect to the surface normal, and (iii) the angular width of the distribution of this angle about its average value.     

Structural characterization of AlN films synthesized by pulsed laser deposition

We obtained AlN thin films by pulsed laser deposition (PLD) from a polycrystalline AlN target using a pulsed KrF* excimer laser source (248 nm, 25 ns, intensity of ∼4 × 10⁸ W/cm², repetition rate 3 Hz, 10 J/cm² laser fluence). The target-Si substrate distance was 5 cm. Films were grown either in vacuum (10⁻⁴ Pa residual pressure) or in nitrogen at a dynamic pressure of 0.1 and 10 Pa, using a total of 20,000 subsequent pulses. The films structure was characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM) and spectral ellipsometry (SE). Our TEM and XRD studies showed a strong dependence of the film structure on the nitrogen content in the ambient gas. The films deposited in vacuum exhibited a high quality polycrystalline structure with a hexagonal phase. The crystallite growth proceeds along the c-axis, perpendicular to the substrate surface, resulting in a columnar and strongly textured structure. The films grown at low nitrogen pressure (0.1 Pa) were amorphous as seen by TEM and XRD, but SE data analysis revealed ∼1.7 vol.% crystallites embedded in the amorphous AlN matrix. Increasing the nitrogen pressure to 10 Pa promotes the formation of cubic (≤10 nm) crystallites as seen by TEM but their density was still low to be detected by XRD. SE data analysis confirmed the results obtained from the TEM and XRD observations.     

Structural, optical and electrochromic properties of nickel oxide thin films grown from electrodeposited nickel sulphide

Nickel oxide thin films were grown onto FTO-coated glass substrates by a two-step process: electrodeposition of nickel sulphide and their thermal oxidation at 425, 475 and 525 °C. The influence of thermal oxidation temperature on structural, optical, morphological and electrochromic properties was studied. The structural properties undoubtedly revealed NiO formation. The electrochromic properties were studied by means of cyclic voltammetry. The films exhibited anodic electrochromism, changing from a transparent state to a coloured state at +0.75 V versus SCE, i.e. by simultaneous ion and electron ejection. The transmittance in the coloured and bleached states was recorded to access electrochromic quality of the films. Colouration efficiency and electrochromic reversibility were found to be maximum (21 mC/cm² and 89%, respectively) for the films oxidized at 425 °C. The optical band gap energy of nickel oxide slightly varies with increase in annealing temperature.     

A novel method for improving the adhesion strength of the electrodeposited Ni films in MEMS

Adhesion performance of MEMS materials is increasingly important with the widely use of miniaturized devices. This paper proposed a novel method for improving adhesion performance between electrodeposited Ni multi-layers. The new method is to treat the Ni substrate in nickel chloride plating solution by pulse reverse current technique before electrodeposition. The dense oxide film of Ni substrate can be removed effectively by this electrochemical method, meanwhile, the proper roughness of Ni substrate is in favor of epitaxial growth during electrodeposition. Moreover, the Ni film is electrodeposited by the new method with low stress and coarse crystal grain. Consequently, the adhesion performance of Ni films is improved dramatically. The experimental results show that the adhesion performance of Ni film electrodeposited by the new method is about 3 times that of by traditional method.     

The effect of adsorbed atomic hydrogen on the growth of ultrathin silicon films on Ge(100) studied by positron-annihilation-induced Auger electron spectroscopy (PAES)

The effects of adsorbed atomic hydrogen on the stability of silicon films grown on a Ge(100) substrate were studied by using positron-annihilation-induced Auger electron spectroscopy (PAES) and electron-induced Auger electron spectroscopy (EAES). PAES is almost exclusively sensitive to the topmost atomic layer due to the trapping of positrons in an image potential well just outside the surface before annihilation. This surface specificity was exploited in the study of film stability and interfacial mixing during the growth of silicon on Ge(100). The PAES results show that the prior adsorption of hydrogen prevented the segregation of germanium on top of the deposited silicon, and that the hydrogen adsorption was useful in growing a thermally stable structure.     

An undercutting model of atomic oxygen for multilayer silica/alumina films fabricated by plasma immersion implantation and deposition on polyimide

Multilayer silica/alumina films were created by plasma immersion implantation and deposition to protect against atomic oxygen (AO) in low earth orbit environment. The AO erosion mechanism of polyimide under multilayer silica/alumina films has been investigated using a ground-based AO simulator and Monte Carlo model. The results demonstrate that protective films are detached and plumped due to AO undercutting, and the exterior silica film is partly detached proven by chemical composition depth profile and erosion patterns. The undercutting model involving collision, diffusion, reaction, gas releasing, and retroaction on films is proposed. Based on the model, scattered impingement has serious erosion, although AO does not directly attack interior polymer. AO erosion predictions at two neighborhood cracks are first studied by Monte Carlo model for various incidence angles of AO. The protective film between cracks hinders the escape of AO, and accelerates the erosion.     

Kinetic Monte Carlo simulation of thin film growth

A three-dimensional kinetic Monte Carlo technique has been developed for simulating growth of thin Cu films. The model involves incident atom attachment, diffusion of the atoms on the growing surface, and detachment of the atoms from the growing surface. The related effect by surface atom diffusion was taken into account. A great improvement was made on calculation of the activation energy for atom diffusion based on a reasonable assumtion of interaction potential between atoms. The surface roughness and the relative density of the films were simulated as the functions of growth substrate temperature and film thickness. The results showed that there exists an optimum growth temperatureT _opt at a given deposition rate. When the substrate temperature approaches toT _opt, the growing surface becomes smoothing and the relative density of the films increases. The surface roughness minimizes and the relative density saturates atT _opt. The surface roughness increases with an increment of substrate, temperature when the temperature is higher thanT _opt.T _opt is a function of the deposition rate and the influence of the deposition rate on the surface roughness depends on the substrate temperatures. The simulation results also showed that the relative density decreases with the increasing of the deposition rate and the average thickness of the film.