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首页> 外文期刊>Nuclear Instruments & Methods in Physics Research. B, Beam Interactions with Materials and Atoms >The influence of the ion-atom potential on molecular dynamics simulations of sputtering
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The influence of the ion-atom potential on molecular dynamics simulations of sputtering

机译：离子原子势对溅射分子动力学模拟的影响

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The influence of the ion-atom potential on sputtering parameters calculated with molecular dynamics simulations was last investigated in detail by Harrison in 1980 [J. Appl. Phys. 52 (1981) 1499]. Harrison concluded that except for total yields, layer yields, yields from different crystal orientations and atom per single ion (ASI) distributions, most sputtering properties were relatively insensitive to the choice of ion-atom potential. Since conventional sputtering theory predicts that only the total yields should be dependent on the ion-atom potential, we have reinvestigated this problem with much higher precision. We find that only the total yields are sensitive to the ion-atom potential, and these appear to depend on the strength of the ion-atom potential at a separation radius of approximately 0.7 A rather than the larger separation radius range of 0.8-1.1 A suggested by Harrison. The total sputtering yields also were found to correlate well with the stopping power computed for each of the ion-atom potentials that were tested.
机译：哈里森（Harrison）于1980年最后详细研究了离子原子电势对通过分子动力学模拟计算的溅射参数的影响[J.应用物理52（1981）1499]。哈里森得出结论，除了总产率，层产率，不同晶体取向的产率和每单离子原子（ASI）分布的产率外，大多数溅射性能对离子原子电势的选择相对不敏感。由于传统的溅射理论预测仅总产量应取决于离子原子电势，因此我们以更高的精度重新研究了该问题。我们发现只有总产率对离子原子电势敏感，并且似乎取决于离子半径在约0.7 A的分离半径而不是在0.8-1.1 A的较大分离半径下的强度。哈里森建议。还发现总溅射产率与针对所测试的每个离子原子电势计算出的终止功率很好地相关。

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