Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Search research articles

Related Experiment Videos

Ab initio calculations to model anomalous fluorine behavior.

Milan Diebel¹, Scott T Dunham

¹Department of Physics, University of Washington, Seattle, WA 98195-1560, USA. diebel@u.washington.edu

Physical Review Letters

|February 9, 2005

Summary

Implanted fluorine in silicon shows unusual uphill diffusion and affects boron. Fluorine defects accumulate in vacancy-rich regions, explaining its observed redistribution behavior in silicon.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by

Same author

Universal machine learning framework for defect predictions in zinc blende semiconductors.

Patterns (New York, N.Y.)·2022

Same author

Kinetics of Isovalent (Cd<sup>2+</sup>) and Aliovalent (In<sup>3+</sup>) Cation Exchange in Cd<sub>1-x</sub>Mn<sub>x</sub>Se Nanocrystals.

Journal of the American Chemical Society·2016

Same author

Insights into scanning probe high-field chemistry of diphenylgermane.

Physical chemistry chemical physics : PCCP·2011

See all related articles

Area of Science:

Materials Science
Semiconductor Physics
Computational Materials Science

Background:

Implanted fluorine exhibits anomalous diffusion in silicon, impacting boron behavior.
Observed uphill diffusion and altered boron diffusion/activation necessitate further investigation.

Purpose of the Study:

To investigate the unusual behavior of fluorine in silicon.
To calculate the energy of fluorine defect structures using density functional theory.

Main Methods:

Density functional theory (DFT) calculations.
Identification of ground-state configuration and diffusion barriers for single fluorine atoms.
Determination of energetically favorable fluorine-vacancy (F(n)V(m)) defect structures.

Main Results:

The ground-state configuration and diffusion migration barrier of single fluorine atoms in silicon were identified.
Energetically favorable fluorine defect structures (F(n)V(m)) were discovered.
Fluorine decoration of vacancies and dangling silicon bonds was observed.

Conclusions:

Fluorine tends to accumulate in silicon's vacancy-rich regions.
This accumulation explains the experimentally observed fluorine redistribution behavior.
The findings provide insights into fluorine's role in silicon semiconductor processing.

Related Experiment Videos