Search

Article

x

留言板

尊敬的读者、作者、审稿人, 关于本刊的投稿、审稿、编辑和出版的任何问题, 您可以本页添加留言。我们将尽快给您答复。谢谢您的支持!

姓名
邮箱
手机号码
标题
留言内容
验证码

A TOTAL ENERGY LDF-DVM STUDY ON THE CHEMISORPTION OF IODINE ON Si AND Ge(111) SURFACES

YE LING ZHANG KAI-MING

A TOTAL ENERGY LDF-DVM STUDY ON THE CHEMISORPTION OF IODINE ON Si AND Ge(111) SURFACES

YE LING, ZHANG KAI-MING
PDF
Get Citation

(PLEASE TRANSLATE TO ENGLISH

BY GOOGLE TRANSLATE IF NEEDED.)

Metrics
  • Abstract views:  2876
  • PDF Downloads:  451
  • Cited By: 0
Publishing process
  • Received Date:  25 January 1986
  • Published Online:  20 March 2005

A TOTAL ENERGY LDF-DVM STUDY ON THE CHEMISORPTION OF IODINE ON Si AND Ge(111) SURFACES

  • 1. 复旦大学物理系

Abstract: As self-consistent LDF-DVM method is used to study the chemisorption of I/Si(lll) and I/Ge(lll). Two cluster models are adopted to simulate the top site and 3-fold site respectively. The optimum geometry is determined by minimizing the total energy. Chemisorption of iodine on top site is found to be more stable than that on 3-fold site. The results are in good agreement with the of SEXAFS. A series of DOS are calculated for the chemisorption of column VII elements F, Cl, Br, I on the top site of Si(lll) surface. The results are analysed and compared with experiments and other theories. In addition, the applicability and limitations of semi-empirical method EHT are discussed.

Catalog

    /

    返回文章
    返回