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Not applicable No embargo required Not applicable No embargo required No Embargo Required O'Reilly, Eoin P. Fahy, Stephen B. Seifikar, Masoud Science Foundation Ireland 2014-01-27T16:18:44Z 2014-01-27T16:18:44Z 2013 2013 The substitution of a small fraction x of nitrogen atoms, for the group V elements in conventional III-V semiconductors such as GaAs and GaSb strongly perturbs the conduction band of the host semiconductor. In this thesis we investigate the effects of nitrogen states on the band dispersion, carrier scattering and mobility of dilute nitride alloys. In the supercell model we solve the single particle Hamiltonian for a very large supercell containing randomly placed nitrogen. This model predicts a gap in the density of states of GaNxAs1−x, where this gap is filled in the Green’s function model. Therefore we develop a self-consistent Green’s function (SCGF) approach, which provides excellent agreement with supercell calculations and reveals a gap in the DOS, in contrast with the results of previous non-self-consistent Green’s function calculations. However, including the distribution of N states destroys this gap, as seen in experiment. We then examine the high field transport of carriers by solving the steadystate Boltzmann transport equation and find that it is necessary to include the full distribution of N levels in order to account for the small, low-field mobility and the absence of a negative differential velocity regime observed experimentally with increasing x. Overall the results account well for a wide range of experimental data. We also investigate the band structure, scattering and mobility of carriers by finding the poles of the SCGF, which gives lower carrier mobility for GaNxAs1−x, compared to those already calculated, in better agreement with experiments. The calculated optical absorption spectra for InyGa1−yNxAs1−x and GaNxSb1−x using the SCGF agree well with the experimental data, confirming the validity of this approach to study the band structure of these materials. Science Foundation Ireland (06/IN.1/I90); Science Foundation Ireland (10/IN.1/I2994) Not peer reviewed Accepted Version application/pdf Seifikar, M. 2013. Dilute nitride semiconductors : band structure, scattering and high field transport. PhD Thesis, University College Cork. 179 https://hdl.handle.net/10468/1338 en University College Cork ©2013, Masoud Seifikar. http://creativecommons.org/licenses/by-nc-nd/3.0/ GaNAs GaNSb Band structure Electronic structure Dilute nitride alloys Density of states Green's function Optical properties High field transport Boltzmann transport equation Optical absorption Conduction band structure Semiconductors true Dilute nitride semiconductors : band structure, scattering and high field transport Doctoral thesis Doctoral PhD (Science) eoin.oreilly@tyndall.ieinfo:eu-repo/semantics/openAccess