Document Details

Document Type : Article In Journal 
Document Title :
Progressive changes in surface structure and electronic properties on Si(001) surface by CaF2 adsorption
Progressive changes in surface structure and electronic properties on Si(001) surface by CaF2 adsorption
 
Subject : Physics 
Document Language : English 
Abstract : Ab initio calculations, based on pseudopotentials and density functional theory, have been performed to investigate the atomic geometry and electronic structures of calcium fluoride (CaF2) on the Si(001) surface. We have considered the experimentally observed (2 ×1) and (3 ×1) reconstructions with different bonding configurations of the CaF2 molecule on the Si(001) surface. Our total energy calculations suggest that the (3× 1) structure is slightly more preferable than the (2× 1). The key structural parameters and electronic surface properties of their most stable structures have been discussed. In contrast to the experimental results, the most stable structures contain an appreciable bonding nature between the surface Si and F atoms, however, no real bonding between Si and Ca atoms is indicated. 
ISSN : 0021-8979 
Journal Name : Journal of Applied Physics 
Volume : 109 
Issue Number : 12 
Publishing Year : 1432 AH
2011 AD 
Article Type : Article 
Added Date : Wednesday, February 15, 2012 

Researchers

Researcher Name (Arabic)Researcher Name (English)Researcher TypeDr GradeEmail
علي زين الزهرانيAlZahrani, Ali ZResearcherDoctoratealizain2000@hotmail.com
D UsanmazUsanmaz, D ResearcherDoctoratedusanmaz@metu.edu.tr

Files

File NameTypeDescription
 32294.pdf pdfAbstract

Back To Researches Page