Electronic structure of divacancy–hydrogen complexes in silicon

Divacancy-hydrogen complexes (V2H and V2H2) in Si are studied by ab initio modelling using large supercells. Here we pay special attention to their electronic structure, showing that these defects produce deep carrier traps. Calculated electrical gap levels indicate that V2H2 is an acceptor, whereas...

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Bibliographic Details
Published inJournal of physics. Condensed matter Vol. 15; no. 39; pp. S2809 - S2814
Main Authors Coutinho, J, Torres, V J B, Jones, R, Öberg, S, Briddon, P R
Format Journal Article Conference Proceeding
LanguageEnglish
Published Bristol IOP Publishing 08.10.2003
Institute of Physics
Subjects
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Electron states
Elemental semiconductors
Exact sciences and technology
Impurity and defect levels
Physics
Scientific Computing
Teknisk-vetenskapliga beräkningar
Defect states
Complex defect
Semiconductor materials
Theoretical study
Dangling bonds
Acceptor center
Impurities
Hydrogen additions
Density functional method
Divacancy
Silicon
Ab initio calculations
Donor center
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Summary:Divacancy-hydrogen complexes (V2H and V2H2) in Si are studied by ab initio modelling using large supercells. Here we pay special attention to their electronic structure, showing that these defects produce deep carrier traps. Calculated electrical gap levels indicate that V2H2 is an acceptor, whereas V2H is amphoteric, with levels close to those of the well known divacancy. Finally our results are compared with the available data from deep level transient spectroscopy and electron paramagnetic resonance experiments.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23
ISSN:0953-8984
1361-648X
1361-648X
DOI:10.1088/0953-8984/15/39/005