Investigation on optical properties and conduction mechanism of p-type SrCu2O2
|Mircea Modreanu 1, Michael J. Nolan 1, Simon D. Elliott 1, Olivier Durand 2, Evie L. Papadopoulou 6, Guy Garry 2, Bernard Servet 2, Guido Huyberechts 3, Jean-Luc Deschanvres 5, Elias Aperathitis 4|
1. University College Cork, Tyndall National Institute (TYNDALL), Lee Maltings, Prospect Row, Cork, Ireland
Transparent conductive oxides (TCOs) are materials displaying a remarkable combination of high electrical conductivity and optical transparency. Most of the currently known TCOs exhibit only n-type electrical conductivity and due to the lack of controlled and reproducible p-type conduction in these oxides there is a limited number of oxide-based p-n junctions. In this paper, we report on first principles ab initio modeling and experimental studies of optical and microstructural properties of both bulk and thin films of SrCu2O2. Using periodic density functional theory (DFT, PBE exchange-correlation functional) plane wave calculations of the atomic and band structure of SrCu2O2, we have investigated the formation of Cu vacancies as the origin of p-type character in SrCu2O2. The DFT calculated lattice parameters were found to be in good agreement with the experimental ones obtained from XRD. Fourier Transform Infrared (FTIR) and Raman spectroscopies are use in the investigation of the vibrational properties of both bulk and thin film SrCu2O2deposited by two deposition techniques, namely Pulsed Laser Deposition and MOCVD. We report here the fundamental infrared and Raman active modes for the tetragonal phase of SrCu2O2. The spectroscopic ellipsometry and UV VIS NIR reflectance results show that the tetragonal phase of SrCu2O2 has an optical bandgap of 3.34 eV.
Presentation: Oral at E-MRS Fall Meeting 2007, Symposium H, by Mircea Modreanu
See On-line Journal of E-MRS Fall Meeting 2007
Submitted: 2007-05-18 10:31 Revised: 2009-06-07 00:44
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