摘要
本文研究了过渡金属原子d轨道同村底半导体SP杂化轨道之间存在两种不同耦合系数的化学吸附问题,采用自洽的格林函数方法,计算了吸附原子d电子在强、弱耦合态上的占据数,化学吸附能、电荷转移及磁性解磁矩。
A transition-metal atom chemisorption on the surface of semiconductors is studied when the interaction between d-orbitals of the adatom and sp-hybrid atomic orbitals of the substrate semiconductor theve existed two different coupling constants V_(01) and V_(02). A self-consistent Green's function method is used to calculate occupancy nnmbers of strong and weak coupling states, chemisorption energy, charge transfer and magnetic moment of magnetic solution.
出处
《辽宁大学学报(自然科学版)》
CAS
1990年第1期34-44,共11页
Journal of Liaoning University:Natural Sciences Edition