NDLI: Ab initio Study of the Si Adsorption on Mo(110)

Content Provider	Springer Nature Link
Author	Kim, Yoon Suk Kang, In Yong Kim, Hanchul Chung, Yong Chae
Copyright Year	2004
Abstract	The energetics and the electronic structure of the Si/Mo(110) surface have been investigated using density functional theory calculations based on the generalized gradient approximation. The calculated potential energy surface for a single Si adatom reveals that a hollow site is favored for the adsorption of Si on Mo(110). The energy barrier for hopping between the hollow sites is located at the bridge site and is found to be 0.64 eV. The electron density plot indicates that four Mo-Si covalent bonds were formed around the Si atom at the hollow site. According to the surface formation energy for different Si coverage, 1 ML Si/Mo(110)−p(1× 1) is energetically favorable for a Si-rich environment. For the Si-poor case, the clean Mo(110) surface is the most stable structure.
Starting Page	327
Ending Page	330
Page Count	4
File Format	PDF
ISSN	13853449
Journal	Journal of Electroceramics
Volume Number	13
Issue Number	1-3
e-ISSN	15738663
Language	English
Publisher	Kluwer Academic Publishers
Publisher Date	2004-01-01
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	density functional theory Si adsorption Mo(110) EUV lithography Polymer Sciences Optical and Electronic Materials Characterization and Evaluation Materials Ceramics, Glass, Composites, Natural Methods Crystallography
Content Type	Text
Resource Type	Article
Subject	Ceramics and Composites Materials Chemistry Mechanics of Materials Condensed Matter Physics Electronic, Optical and Magnetic Materials Electrical and Electronic Engineering

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