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用分子动力学计算机模拟研究了能量为5—20 eV/atorn,结构为正二十面体的(Cu)_(13)原子簇在Cu(001)表面的沉积过程.采用紧束缚势同Moliers势的结合描述Cu原子间相互作用通过原子簇-衬底相互作用的“快照”研究沉积的动态过程.结果表明,当入射能量较低时,轰击弛豫后,入射原子簇在衬底表面发生重构,生成很好的外延层,靶没有任何损伤.随着轰击能量的增加,原子簇原子穿入靶的深度增加.当入射能量达到20 eV/atom时,原子簇完全穿入靶并开始造成辐照损伤,表面出现空位,靶内产生间隙原子.对原子簇与衬底表面能量转换的分析表明,原予簇通过很短时间(零点几皮秒)集体碰撞“激活”轰击区靶原子,提供靶原子迁移重构的激活能
The (Cu) _ (13) cluster with 5-20 eV / atorn energy and regular icosahedron structure was deposited on Cu (001) surface by molecular dynamics simulations. The binding describes the dynamic process of deposition of Cu atoms by “snapshots” of atomic cluster-substrate interactions. The results show that when the incident energy is low, the incident clusters are reconstructed on the surface of the substrate after the bombardment relaxation, resulting in a good epitaxial layer without any damage to the target. As the energy of bombardment increases, the depth of atomic cluster penetration into the target increases, and when the incident energy reaches 20 eV / atom, the atomic cluster penetrates completely into the target and begins to cause damage to the irradiation, leaving gaps on the surface and generating interstitial atoms in the target. The analysis of energy conversion between atomic cluster and substrate surface shows that the primary cluster collimates the target atoms by bombardment in a short time (a few picoseconds) and provides the activation energy of target atom remodeling