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SiC/Dynamic behavior of clusters in the early stage of SiC (0001) epitaxial growth: A Kinetic Monte Carlo study.pdf
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SiC/Dynamic behavior of clusters in the early stage of SiC (0001) epitaxial growth: A Kinetic Monte Carlo study.pdf
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# MD simulation study on defect evolution and doping efficiency of p-type doping of 3C-SiC by Al ion implantation with subsequent annealing
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## Abstract
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electronic stopping power 是什么?
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本研究展示了表面下方重结晶的过程,这个过程从非晶-晶态的界面到破坏的核心区域。
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重结晶的过程中,有明显的应力聚集,并在破坏较多和晶体的界面处有相转换和缺陷。
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另外,在掺杂较少的情况下,掺杂导致的缺陷更多。
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同时,高温退火也容易导致 C 空位。
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### 2.2: How do Molecules Bond to Surfaces?
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### 2.2: How do Molecules Bond to Surfaces?
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### 2.3: Kinetics of Adsorption
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### 2.3: Kinetics of Adsorption
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现在只考虑吸附的过程,不考虑脱附的过程。
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可以认为,吸附的速率由分子流速率(单位面积上,每秒有多少个分子撞到表面上,$F$)和吸附的概率(撞到表面上的分子有多大概率被吸附上去,$S$)决定:
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$$
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R = SF \\
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F = \frac{P}{\sqrt{2\pi mkT}} \\
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S = f(\theta)\exp(-E/kT)
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$$
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$\theta$ 指表面覆盖率,即已经有多少比率的坑被占了。
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如果能量为每摩尔的吸附能而不是每单个分子或原子的吸附能,k 处应该换成 R。
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对于脱附的过程,脱附的速率为:
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$$
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R = \nu N \exp(-E/kT)
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$$
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其中 N 指吸附的原子或分子个数。将 N 取为 1 并积分,就得到了单个原子或分子经过一段时间后脱附的概率。
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如果要计算一个原子或者分子平均在表面上待的时间,可以计算得到:
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$$
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\frac{1}{\nu\exp(-E/kT)}
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$$
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分子动力学/Interfacial potentials for Al SiC 111.md
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分子动力学/Interfacial potentials for Al SiC 111.md
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# Interfacial potentials for Al/SiC(111)
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分子动力学/Interfacial potentials for Al SiC 111.pdf
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分子动力学/Interfacial potentials for Al SiC 111.pdf
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