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Numerical investigation of sputtering power effect on nano-tribological properties of tantalum-nitride film using molecular dynamics simulation

机译:分子动力学模拟数值模拟溅射功率对氮化钽薄膜纳米摩擦性能的影响

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In the present work, surface profile of tantalum-nitride films, deposited with different sputtering power is analyzed using atomic force microscopy (AFM) in order to find out the effect of sputtering power density on the surface properties. In this regard, micron size tantalum nitride films were deposited using reactive magnetron sputtering system with sputtering power density of 1.5-3 W/cm(2) in argon environment mixed with nitrogen. The process was then simulated numerically using molecular dynamics simulation (MD) and Morse interatomic potential in order to study the mechanism of surface roughness variation with sputtering power. According to experimental results, with increasing the sputtering power density from 1.5 to 3, the surface roughness decreased at first followed by an increase. The reason of this behavior was investigated using MD simulation. In this regard, the effect of sputtering power was attributed into two different phenomena: (i) the deposition rate and (ii) the incident-atom energy. Simulation was performed at different deposition rates from 33 to 666 atoms/ps and different sputtered atom energies from.31 to 7.67 eV. It is found that increasing the incident-atom energy causes the atoms to move along the surface and reduces the surface roughness. In contrast, increasing the deposition rate restricted the surface mobility of atoms and roughened the surface. It is also indicated that an increase in the sputtering power cannot increase the adatoms kinetic energy continuously and so the surface diffusion of atoms. Therefore, there is an optimum value for minimum roughness of surface in sputter deposition of tantalum nitride films which is in agreement with simulation findings. (C) 2015 Elsevier B.V. All rights reserved.
机译:在本工作中,使用原子力显微镜(AFM)分析了以不同溅射功率沉积的氮化钽薄膜的表面轮廓,以发现溅射功率密度对表面性能的影响。在这方面,使用氩气与氮气混合的溅射功率密度为1.5-3 W / cm(2)的反应磁控溅射系统沉积了微米尺寸的氮化钽薄膜。然后使用分子动力学模拟(MD)和Morse原子间电势对该过程进行数值模拟,以研究表面粗糙度随溅射功率变化的机理。根据实验结果,随着溅射功率密度从1.5增加到3,表面粗糙度首先减小,然后增加。使用MD仿真研究了此行为的原因。在这方面,溅射功率的影响归因于两种不同的现象:(i)沉积速率和(ii)入射原子能。在33至666原子/ ps的不同沉积速率和31至7.67 eV的不同溅射原子能量下进行了仿真。发现增加入射原子能导致原子沿表面移动并减小表面粗糙度。相反,增加沉积速率会限制原子的表面迁移率并使表面变粗糙。还表明溅射功率的增加不能连续增加吸附原子的动能,因此不能使原子的表面扩散。因此,在氮化钽膜的溅射沉积中存在最小表面粗糙度的最佳值,这与仿真结果相符。 (C)2015 Elsevier B.V.保留所有权利。

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