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Molecular dynamics simulations ofAr+andCl+impacts onto silicon surfaces: Distributions of reflected energies and angles

 

作者: B. A. Helmer,   D. B. Graves,  

 

期刊: Journal of Vacuum Science&Technology A: Vacuum, Surfaces, and Films  (AIP Available online 1998)
卷期: Volume 16, issue 6  

页码: 3502-3514

 

ISSN:0734-2101

 

年代: 1998

 

DOI:10.1116/1.580993

 

出版商: American Vacuum Society

 

关键词: Si

 

数据来源: AIP

 

摘要:

Previous profile evolution studies of plasma-assisted etch processes have shown that ions scattered from sidewalls can lead to microtrench formation on the bottom of an etched feature [see, for example, Dalton et al., J. Electrochem. Soc.140, 2395 (1993)]. In these studies, the ions impacting feature surfaces with incident angles above a critical value were assumed to reflect specularly from the surfaces. In the present article, we describe the energy and angle distributions of reflected atoms obtained from molecular dynamics (MD) simulations. We simulatedAr+andCl+ions impacting model silicon surfaces. The ion incident energiesEiwere 20, 50, and 100 eV. We varied the ion incident anglesθifrom 0° to 85° from the surface normal. The model silicon surfaces had chlorine coverages of 0 monolayers (ML) of Cl, 1 ML Cl, and 2.3 ML Cl. We determined the Ar and Cl reflection probabilities, i.e., the fraction of Ar and Cl atoms scattered from the surfaces during the 1–2 ps MD trajectories. Forθi⩾75°,we found that the reflection probabilities were greater than 90% in most cases. For these large incident angles, we describe the distributions of energiesErand angles (polarθrand azimuthalφr)for the Ar and Cl atoms reflected from the surfaces. The results of the MD simulations are compared with the assumption of specular scattering. In addition, we compare the average energies of the reflected atoms with the predictions of two simple models based on the binary collision approximation. We discuss the effects of incident ion species,Ei,θi,chlorine surface coverage, and surface roughness on these results.

 

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