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本文采用MonteCarlo方法模拟低能Ar+离子注入ZrO2单晶所引起的原子级联碰撞过程.模拟结果表明,Ar+离子沿[111]轴沟道方向入射的溅射率低于沿[101]轴沟道方向入射的溅射率,更低于沿非沟道方向入射的溅射率.Ar+离子沿沟道方向入射的溅射率与非沟道方向入射的溅射率的差别随着Ar+离子入射能量的增大而迅速增大.因此在薄膜生长的过程中,若用一定能量的离子束以一定的入射角度进行轰击,薄膜中那些低指数晶向对准离子入射方向的晶粒,其溅射率和损伤程度较小.这些晶粒能保存下来并继续生长,而其它的晶粒由于其溅射率和损伤程度较大生长受到抑制.在薄膜生长的过程中,溅射率最少的晶粒由于生长速度较快,最终抑制了其它取向晶粒的生长.该模拟计算定性地说明了由于晶粒溅射产额的各向异性导致了Y稳定的ZrO2薄膜具有单一的取向和平面织构.
In this paper, the MonteCarlo method is used to simulate the atomic cascade collision induced by low energy Ar + ion implantation into ZrO2 single crystals. The simulation results show that the sputtering rate of Ar + ions incident along the channel of [111] axis is lower than the incident rate of sputtering along the channel of [101] axis and lower than the sputtering rate of non-channel incident. The difference between the sputtering rate of Ar + ions incident in the channel direction and the sputtering rate of non-channel incidence increases rapidly with the increase of incident energy of Ar + ions. Therefore, during the film growth, if a certain energy ion beam is bombarded at a certain angle of incidence, the grains in the film with low index crystal aligning with the ion incident direction have a lesser sputtering rate and damage degree. These grains can survive and continue to grow while other grains are inhibited from growing due to their greater sputtering rate and damage. During thin film growth, the grains with the lowest sputtering rate eventually inhibit the growth of other oriented grains due to the faster growth rate. This simulation calculation qualitatively illustrates that Y-stabilized ZrO2 films have a single orientation and planar texture due to the anisotropy of grain sputter yield.