电子元件与材料2009，Vol.28Issue(8)：66-70,5.DOI:10.3969/j.issn.1001-2028.2009.04.019
Si(001)外延ZnSe薄膜界面原子的结合与成键
Donding of interfaces atoms in epitaxial growth of ZnSe thin films on Si(001) substrate
摘要
Abstract
Based on the first principle calculations, two-dimensional epitaxial growth of ZnSe thin films on Si(001) and nitrogen treated Si(001) was modeled by adding monolayer of Zn/Se atoms to the Si(001) and nitrogen terminated Si(001) surface layer. The bonding energy of absorbing monolayer atoms, charge and bonding properties of the interface atoms were investigated to account for the different adherence of Zn/Se atoms and the amorphous Se accumulation phenomenon during the film growth. And it's concluded that the nitrogen treatment of Si(001) surface plays an advantageous role in two-dimensional growth in ZnSe epitaxy on Si(001), and the nitrogen atoms can be the buffer of different non-polar covalent bonding and polar ionic bonding between Si substrates and the epitaxial growth ZnSe.关键词
第一性原理/结合能/共价成键/ZnSe薄膜Key words
first principle/bonding energy/covalent bond/ZnSe thin films分类
数理科学引用本文复制引用
陈良艳,张道礼,翟光美,张建兵..Si(001)外延ZnSe薄膜界面原子的结合与成键[J].电子元件与材料,2009,28(8):66-70,5.基金项目
教育部高等学校博士学科点专项科研基金资助项目(No.20050487034) （No.20050487034）
