标题:
钯–硅(Pd-Si)薄膜表面偏析研究Surface Segregation in Pd-Si Thin Films
作者:
陈煜, 黄立豪, 杨士栋, 邹永恒, 姜国利, 王江涌
关键字:
表面偏析, 修正的Darken模型, 尺寸效应, Pd-Si薄膜, Pd-Si二元合金Surface Segregation, Modified Darken Model, Size Effect, Pd-Si Thin Film, Pd-Si Alloy
期刊名称:
《Material Sciences》, Vol.6 No.6, 2016-11-09
摘要:
本文应用修正的Darken模型，结合考虑薄膜尺寸效应的约束条件，对PdSi、Pd2Si、Pd3Si、Pd9Si2、Pd5Si合金薄膜的平衡态及动态表面偏析进行了模拟计算，其中，偏析参数，即偏析能ΔG和相互作用系数Ω，分别由Miedema模型和相图计算方法获得。结果表明：尺寸效应对Pd-Si合金薄膜体系偏析的影响不是很明显。
In this paper, equilibrium and kinetic surface segregation in Pd-Si alloy thin films are simulated by applying the modified Darken model under a constrained condition for taking into account the size effect. The corresponding segregation parameters, i.e. segregation energy and interaction parame-ter, are obtained by the Miedema model and the CALPHAD (Calculation of Phase Diagrams) method. The simulated results indicate that the size effect in the Pd-Si alloy thin film is not pronounced.