Center for Atomic and Molecular Technologies, Osaka University, Japan.
J Phys Condens Matter. 2011 Jul 6;23(26):265008. doi: 10.1088/0953-8984/23/26/265008. Epub 2011 Jun 15.
The effects of surface strain on epitaxial growth are studied using the kinetic Monte Carlo (KMC) method. The strain dependences of the activation energy barrier and the attempt frequency of each elementary process are evaluated by the embedded atom method interatomic potential. KMC simulations of homoepitaxial growth on a Ag(111) surface with equibiaxial tensile strain are carried out and influences of the surface strain on the nucleation of islands and the surface morphology are investigated. The island density increases due to reduction of the adatom diffusion on the terrace. The averaged coordination number of atoms constituting islands decreases and the island shape is more dendritic. The tensile surface strain leads to an increase in the surface roughness at an early stage of the growth, but at high coverage the roughness is adversely lower for the strained surface.
利用动力学蒙特卡罗（KMC）方法研究了表面应变对外延生长的影响。通过嵌入原子法原子间势评估了各基本过程的激活能垒和尝试频率对应变的依赖性。在具有双向拉伸应变的 Ag(111)表面上进行了同质外延生长的 KMC 模拟，并研究了表面应变对岛核形成和表面形貌的影响。由于在平台上的吸附原子扩散减少，岛密度增加。构成岛的原子的平均配位数减少，岛的形状更具树枝状。在生长的早期阶段，拉伸表面应变会增加表面粗糙度，但在高覆盖率下，应变表面的粗糙度会降低。
