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Calculation Of Positron Characteristics In Silicon Carbide

Published online by Cambridge University Press:  21 March 2011


Bernardo Barbiellini
Affiliation:
Physics Department, Northeastern University, Boston, Massachusetts 02115
Jan Kuriplach
Affiliation:
Charles University, Dept. of Low Temperature Physics, Prague, Czech Republic
Wolfgang Anwand
Affiliation:
Research Center Rossendorf, Institute of Ion Beam Physics and Materials Research, Dresden, Germany
Gerhard Brauer
Affiliation:
Research Center Rossendorf, Institute of Ion Beam Physics and Materials Research, Dresden, Germany

Abstract

Positron affinity calculations performed by a first-principles approach based on density functional theory reveal, contrary to many other semiconductors, that free positrons and positronium atoms can escape from SiC. It is found that the treatment of the electronpositron interaction plays a crucial role when calculating the annihilation characteristics. These characteristics originating from both valence and core electrons, combined with the corresponding measurements, yield a very useful tool for surface studies and point defect identification in the bulk. Calculations will be compared with available experimental data.


Type
Research Article
Copyright
Copyright © Materials Research Society 2001

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