This title appears in the Scientific Report :
2003
Please use the identifier:
http://hdl.handle.net/2128/202 in citations.
Störstellenkomplexe in Halbleitern: Elektronenstruktur und Hyperfeineigenschaften
Störstellenkomplexe in Halbleitern: Elektronenstruktur und Hyperfeineigenschaften
In the present thesis ab initio electronic structure calculations in the framework of the density functional theory are presented for defect complexes in the semiconductors Si and Ge. We have used the Korringa-Kohn-Rostoker Greensfunction method, which we have generalised such that also large lattic...
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Personal Name(s): | Höhler, Holger (Corresponding author) |
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Contributing Institute: |
Theorie III; IFF-TH-III |
Imprint: |
Jülich
Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag
2003
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Physical Description: |
IV, 202 S. |
Dissertation Note: |
Aachen, Technische Hochsch., Diss., 2003 |
Document Type: |
Book Dissertation / PhD Thesis |
Research Program: |
Kondensierte Materie |
Series Title: |
Berichte des Forschungszentrums Jülich
4126 |
Subject (ZB): | |
Link: |
OpenAccess |
Publikationsportal JuSER |
In the present thesis ab initio electronic structure calculations in the framework of the density functional theory are presented for defect complexes in the semiconductors Si and Ge. We have used the Korringa-Kohn-Rostoker Greensfunction method, which we have generalised such that also large lattice relaxations can be treated. The electronic and the geometrical structure of such complexes are calculated, as well as nuclear quantities related to hyperfine interactions, as e.g. the electric field gradient (EFG), the isomer shift (IS) and the hyperfine field (HF). The aim is a comparison with experimental results; therefore defect complexes containing the probe atoms $^{111}$Cd or $^{119}$Sn are investigated. These nuclei are frequently used in perturbed angular correlation measurements and in M¨ossbauer-spectroscopy. We restricted ourselves to pair defects, consisting of the implanted probe atom and a single intrinsic defect. |