摘要
本文在一维紧束缚近似下,利用格林函数方法和复能积分技术,研究了O在Pt/Si上的化学吸附对Pt/Si界面能的影响。分别以有限d轨道链模型和半无限的sp杂化轨道链模型来描述金属Pt和衬底Si,计算了O在吸附前后Pt/Si界面能随界面耦合强度γ的变化关系。结果表明O的吸附导致Pt/Si界面能降低。
The effects of O chemisorption on Pt/Si on the Pt/Si interface properties are investi-gated by using the Green's function method and the complex-energy-plane integration technique withinthe limits of the one-dimentsional tight-binding approximation.The metal Pt and substrate Si arerespectively described by the finite d-orbital chain and the semi-infinite sp-hybrid orbital chain.ThePt/Si interface energy are computed before and after O is adsorbed.The results show that the Pt/Si in-terface energy decreases after O is adsorbed.
出处
《河南师范大学学报（自然科学版）》
CAS
CSCD
1993年第2期43-46,共4页
Journal of Henan Normal University(Natural Science Edition)
关键词
界面能
化学吸附
氧
半导体
铂
硅
Green's function
tight-binding model
interface energy
