Nitrogen defect levels in InN: XANES study |
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| Institution: | 1. Nanostructured Materials Group, Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE 58183 Linköping, Sweden;2. Departamento de Ciencia de los Materiales e Ingeniería Metalúrgica, Universitat Politècnica de Catalunya, Avda. Diagonal 647, 08028 Barcelona, Spain;3. Center for Research in Nanoengineering, CRnE-UPC, C/Pascual i Vila 15, 080828 Barcelona, Spain;4. Seco Tools AB, SE 737 82 Fagersta, Sweden;1. Department of Physics, Chemistry and Biology (IFM), Linköping University, SE 58183 Linköping, Sweden;2. Departamento de Ciencia de los Materiales e Ingeniería Metalúrgica, Center for Research in Nanoengineering, CRnE-UPC Avda. Diagonal 647, 08028 Barcelona, Spain;3. Division of Machine Elements, Luleå University of Technology, Luleå SE-97187, Sweden;4. Seco Tools AB, SE 737 82 Fagersta, Sweden |
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| Abstract: | The local and electronic structure of nitrogen-related defects in thin film of InN (0 0 0 1) has been studied using synchrotron-based X-ray absorption near edge structure (XANES) spectroscopy. Several defect levels within the band gap and the conduction band of InN were clearly resolved in XANES spectra around the nitrogen K-edge. Theoretical analysis of XANES data includes advanced “ab initio” simulations: self-consistent full multiple scattering calculations using muffin-tin approximation, non-muffin-tin finite difference approach to study the influence of non-muffin-tin effects on XANES shape as well as advanced local density approximation scheme for optimization of initial geometry around nitrogen defects. Theoretical analysis of XANES data allows to attribute the level observed at 1.7 eV above the conduction band mimimum to antisite nitrogen and a sharp resonance at 3.2 eV above the conduction band minimum to molecular nitrogen. |
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