Nanocomposite TiC/a-C：H film prepared on titanium aluminium alloy substrates by PSII assistant MW-ECRCVD

Thin films of titanium carbide and amorphous hydrogenated carbon have been synthesized on titanium aluminium alloy substrates by PSII assisted MW-ECRCVD with a mirror field. The microstructure, chemical composition and mechanical property were investigated. Using XPS and TEM, the films were identified to be a-C：H film containing TiC nanometre grains （namely, the so-called nanocomposite structure）. The size of TiC grains of nanocomposite TiC/DLC film is about 5 nm. The nanocomposite structure has obvious improvement in the mechanical properties of DLC film. The hardness of a-C：H film with Ti is enhanced to 34 G Pa~ while that of a-C：H film without Ti is about 12 G Pa, and the coherent strength is also obviously enhanced at the critical load of about 35N.     

Deposition mechanism of nano-structured single-layered C36 film on a diamond （100） crystal plane

The Brenner-LJ potential is adopted to describe the interaction between C36 clusters and diamond surface, and the deposition mechanism of multi-C36 clusters on the diamond surface is also studied by using the method of molecular dynamics simulation. The simulation results show that the competition effects of two interactions, i.e. the interaction between cluster and cluster and the interaction between cluster and crystal plane, are studied, and then the influence of these competition effects on C36 cluster deposition is analysed. The finding is that when an incident energy is appropriately chosen, C36 clusters can be chemically adsorbed and deposited steadily on the diamond surface in the form of single-layer, and in the deposition process the multi-C36 clusters present a phenomenon of energy transmission. The experimental result shows that at a temperature of 300K, in order to deposit C36 clusters into a steady nanostructured single-layered film, the optimal incident energy is between 10 and 18 eV, if the incident energy is larger than 18 eV, the C36 clusters will be deposited into an island nano-structured film.     

Role of atomic transverse migration in growth of diamond-like carbon films

The growth of diamond-like carbon (DLC) films is studied using molecular dynamics simulations. The effect of impact angle on film structure is carefully studied, which shows that the transverse migration of the incident atoms is the main channel of film relaxation. A transverse-migration-induced film relaxation model is presented to elucidate the process of film relaxation which advances the original model of subplantation. The process of DLC film growth on a rough surface is also investigated, as well as the evolution of microstructure and surface morphology of the film. A preferential-to-homogeneous growth mode and a smoothing of the film are observed, which are due to the transverse migration of the incident atoms.     

Additivity rule for electron--molecule total cross section calculations at 50--5000eV: a new geometrical approach

Taking into consideration the changes of the geometric shielding effect in a molecule as the energy of incident electrons varies, this paper presents an empirical fraction, which depends on the energy of incident electrons, the target＇s molecular dimension and the atomic and electronic numbers in the molecule. Using this empirical fraction, it proposes a new formulation of the additivity rule. Employing the new additivity rule, it calculates the total cross sections of electron scattering by C2H4, C6H6, C6H14 and C8H18 over the energy range from 50 to 5000eV. In order to exclude the calculation deviations caused by solving the radial Schrodinger equation of electron scattering by atoms, here the atomic cross sections are derived from the experimental total cross section results of simple molecules （H2, O2, CO） via the inversion algorithm. The quantitative total cross sections are compared with those obtained by experiments and other theories, and good agreement is obtained over a wide energy range, even at energy of several tens of eV.     

Coverage Dependence of Growth Mode in Heteroepitaxy of Ni on Cu（100） Surface

A realistic kinetic Monte Carlo （KMC） simulation model with physical parameters is developed, which well reproduces the heteroepitaxial growth of multilayered Ni thin film on Cu（100） surfaces at room temperature. The effects of mass transport between interlayers and edge diffusion of atoms along the islands are included in the simulation model, and the surface roughness and the layer distribution versus total coverage are calculated. Speeially, the simulation model reveals the transition of growth mode with coverage and the difference between the Ni heteroepitaxy on Cu（100） and the Ni homoepitaxy on Ni（100）. Through comparison of KMC simulation with the real scanning tunneling microscopy （STM） experiments, the Ehrlich-Schwoebel （ES） barrier Ees is estimated to be 0.18±0.02 eV for Ni/Cu（100） system while 0.28 eV for Ni/Ni（100）. The simulation also shows that the growth mode depends strongly on the thickness of thin film and the surface temperature, and the critical thickness of growth mode transition is dependent on the growth condition such as surface temperature and deposition flux as well.     

Total cross sections for electrons scattering from C_2F_4 and SO_2 at 30-5000 eV: considering the geometric shielding effect

Considering the changes of the geometric shielding effect in a molecule as the incident electron energy varing, an empirical fraction, which is dependent on the incident electron energy, is presented. Using this empirical fraction, the total cross sections (TCSs) for electrons scattering from complex polyatomic molecules C2F4 and SO2 are calculated over a wide energy range from 30 to 5000 eV together with the additivity rule model at Hartree-Fock level. In the TCS calculations, the atoms are presented by the spherical complex optical potential, which is composed of static, exchange, polarization and absorption contributions. The quantitative TCSs above 100 eV are in good agreement with those obtained by experiments and other theories. It is proved that the empirical fraction, which exhibits the TCS contributions of shielded atoms in a molecule at different energies, is reasonable.     

Total cross sections for electrons scattering from C2F4 and SO2 at 30- 5000 eV: considering the geometric shielding effect

Considering the changes of the geometric shielding effect in a molecule as the incident electron energy varing, an empirical fraction, which is dependent on the incident electron energy, is presented. Using this empirical fraction, the total cross sections (TCSs) for electrons scattering from complex polyatomic molecules C2F4 and SO2 are calculated over a wide energy range from 30 to 5000 eV together with the additivity rule model at Hartree-Fock level. In the TCS calculations, the atoms are presented by the spherical complex optical potential, which is composed of static, exchange, polarization and absorption contributions. The quantitative TCSs above 100 eV are in good agreement with those obtained by experiments and other theories. It is proved that the empirical fraction, which exhibits the TCS contributions of shielded atoms in a molecule at different energies, is reasonable.     

Optimization of Energy Scope for Titanium Nitride Films Grown by Ion Beam-Assisted Deposition

The deposited energy during film growth with ion bombardment, correlated to the atomic displacement on the surface monolayer and the underlying bulk, has been calculated by a simplified ion-solid interaction model under binary collision approximation. The separated damage energies caused by Ar ion, different for the surface and the bulk, have been determined under the standard collision cross section and a well-defined surface and bulk atom displacement threshold energy of titanium nitride （TIN）. The optimum energy scope shows that the incident energy of At＋ around 110eV for TiN （111） and 80eV for TiN （200） effectively enhances the mobility of adatom on surface but excludes the damage in underlying bulk. The theoretical prediction and the experimental result are in good agreement in low energy ion beam-assisted deposition.     

A b initio calculation of the growth of Te nanorods and Bi2Te3 nanoplatelets

In this paper the growth mechanism of a Te/Bi2Te3 novel structure is studied by ab-initio calculations. The results show that the growth of Te nanorods is determined by the adsorption energy of Te atoms on different crystalline Te surfaces. The adsorption energy of Te on the Te （001） surface is 3.29 eV, which is about 0.25 eV higher than that of Te on the Te （110）. This energy difference makes the preferential growth direction along the 〈 001 〉 direction. In addition, the higher surface energy of Bi2Te3 （110） and the lattice misfit between crystalline Bi2We3 and Te along 〈 001 〉 direction are considered to explain the growth of the Bi2Te3 nanoplatelets, in which Volmer-Weber model is used. The theoretical results are in agreement with experimental observation.     

Microstructure and optical properties of Ge films prepared by ion beam assisted deposition

Germanium （Ge） films are prepared on BK7 glass and multispectral zinc sulfide （m-ZnS） substrates by ion beam assisted deposition （IBAD）. The effects of substrate temperature, deposition rate, and ion energy on the microstructure and optical properties of the films are investigated. It can be concluded that Ge film deposited with higher rate or ion energy has more optical absorption, while ion energy below 150 eV helps to reduce film absorption. Film refractive index increases with film deposition rate and bombardment ion energy while it is below 300 eV. And higher growth rate or bombardment ion energy can weaken film diffraction intensity.     

非晶态异质结构a-Si:H/a-SiNx:H和a-Si:H,a-SiNx:H薄膜的应力研究

实验发现在一定Si—H键浓度下,相对于平坦的硅衬底而言,在其上沉积的a-Si:H薄膜具有压缩应力,a-SiN_x:H薄膜具有伸张应力。当a-Si:H和a-SiN_x:H层厚度比近似于1:2时,硅衬底上生长的a-Si:H/a-SiN_x:H/c-Si样品,弯曲最小,并能保持很长时间。文中还给出了应力随退火变化的情况,并对实验结果进行了讨论。 关键词：     

Thermal annealing of a-Si:H/a-SiNx:H multilayers

The crystallinity of Si/SiN_x multilayers annealed by a rapid thermal process and furnace annealing is investigated by a Raman-scattering technique and transmission electron microscopy. It is found that the crystallization temperature varies from 900 °C to 1000 °C when the thickness of a-Si:H decreases from 4.0 nm to 2.0 nm. Raman measurements imply that the high crystallization temperature for the a-Si:H sublayers originates from the confinement modulated by the interfaces between a-Si:H and a-SiN_x:H. In addition to the annealing temperature, the thermal process also plays an important role in crystallization of a-Si sublayers. The a-Si:H sublayers thinner than 4.0 nm can not be crystallized by furnace annealing for 30 min, even when the annealing temperature is as high as 1000 °C. In contrast, rapid thermal annealing is advantageous for nucleation and crystallization. The origin of process-dependent crystallization in constrained a-Si:H is briefly discussed. Received: 11 April 2001 / Accepted: 20 June 2001 / Published online: 30 August 2001     

a-Si:H/a-SiNx:H超晶格的掺杂效应

采用带有可转动掩板的沉积系统,合成出一类新的a-Si:H/掺杂a-SiN_x:H超晶格。样品中各子层厚度及a-SiN_x:H子层中N/Si比固定,仅改变掺杂浓度。结果发现:此类超晶格中的费密能级可以通过a-SiN_x:H层中的掺杂来控制,即a-Si:H/a-SiN_x:H超晶格可以从n型转变为p型,依赖于a-SiN_x:H子层中B的掺杂比。然而,a-SiN_x:H子层中P的掺杂对a-Si:H/a-SiN_x:H超晶格传输特性影响并不大。 关键词：     

B掺杂a-SiC:H/本征a-Si:H异质结中的B扩散

本文用 ¹¹B(p,a)⁸ Be(E_{r=163keV)核反应分析方法,研究不同生长温度和退火温度对a-SiC:H(B)/a-Si:H异质结构中B原子浓度剖面分布的影响,由B原子浓度剖面分布的变化,分别估算了B在a-Si:H生长和退火过程中的扩散系数,结合电导率随膜厚度变化的测量,并依据最新提出的热平衡缺陷观点,对B的扩散过程作了分析。 关键词：}     

a-Si:H/a-SiNx:H多层膜的皮秒时间分辨光致发光

用时间分辨激光光谱学方法研究了a-Si:H/a-SiN_x:H多层膜光生载流子初始动力学过程,分析了非平衡载流子的热释和复合机制。实验还表明多层膜的发光衰减截止时间、迁移率边和带尾宽度随N含量呈非单调变化规律,转折发生在x=0.85附近,这很可能是由于不同N组份引起多层膜内电场和结构变化的结果。 关键词：     

Limitations of interface sharpness in a-Si:H/a-SiC:H multilayers

The goal of this work is to study the sharpness of interfaces in amorphous silicon based compositional multilayers (superlattices) by a number of different techniques and to discuss their limitations. From monitoring plasma transients during glow discharge deposition of a-Si:H/a-SiC:H multilayers, a lower limit of 3 Å for interface sharpness is estimated. Transmission electron microscopy (TEM) images yield an upper limit of 5–10 Å. These images directly show the increase in undulation from the substrate towards the film surface. From the comparison of simulated X-ray diffraction (XRD) spectra with measurements the interface sharpness is found to be between 5 and 8 Å. Using a series of multilayers with increasing number of interfaces, structural characteristics of the interfacial region can be extracted. For example, infrared absorption spectroscopy (FTIR) and elastic recoil detection (ERD) lead to an estimate of 1.1 × 10¹⁴ cm^-2 additional hydrogen atoms per single interface.     

a-Si:H/a-SiCx:H超晶格的界面特性

报道等离子体化学汽相沉积法制备的ａ－Ｓｉ：Ｈ／ａ－ＳｉＣ：Ｈ超晶格的蓝移现象，用小角度Ｘ射线衍射确定超晶格的界面陡度。通过红外测量和常数光电流测量发现，超晶格界面附近存在较高浓度的Ｈ和较多的Ｓｉ－Ｃ键，界面Ｈ的热稳定性较差，界面缺陷态密度为１．２×１０^１１ｃｍ^-2。 关键词：     

a-Si:H/a-SiNx:H超晶格薄膜光致发光性质的研究

本文报道了a-Si:H/a-SiNx:H超晶格薄膜光致发光某些性质的研究。实验发现,这种超晶格薄膜光致发光的强度和峰值能量随交替层a-Si:H厚度,测量温度及光照时间等而变化。同时还发现,在阴、阳两极上,利用GD法沉积的样品,发光强度和峰值能量也有所不同。文中对这些实验结果作了初步解释。     

Molecular dynamical simulations on a-C:H film growth from atomic flux of C and H: Effect of H fraction

Molecular dynamical simulations are carried out to studying the hydrogenated amorphous carbon (a-C:H) film growth from C and H atoms. The effects of the H fraction in source atoms and incident energy on the film formation are investigated. Our simulations show that almost all the H atoms incorporating into the films bond to carbon and the amount of H₂ molecules is very slight. Increasing the H fraction in source atoms raises the sp³-C fraction, leads to a linear increase of H concentration in film, but decreases the film growth rate. The influence of H fraction on the film growth mechanism is also discussed.