Papers by Author: Patrick R. Briddon

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Authors: Oras A. Al-Ani, J.P. Goss, N.E.B. Cowern, Patrick R. Briddon, Meaad Al-Hadidi, Raied Al-Hamadany, M.J. Rayson
Abstract: Removal of the dilaterous effects of iron in silicon is critical for the performance of multicrystalline silicon (mc-Si) solar cells, with internal gettering at extended defects including stacking faults and grain boundaries being one possibility. We present the results of a density function study of the behavoiur of iron at the intrinsic stacking fault and (001)–Σ 5 twist grain boundary, which both represent examples of fully bonded systems. Our results show iron is bound more strongly to the grain-boundary than the stacking fault, which we ascribe to a combination of Si-Fe chemistry and strain relaxation. However, we find that the binding energy of a single Fe atom to these extended defects is modest, and less than 0.5 eV.
Authors: Jonathan P. Goss, R. Jones, S.J. Breuer, Patrick R. Briddon, Sven Öberg
Authors: N. Fujita, R. Jones, Sven Öberg, Patrick R. Briddon, A.T. Blumenau
Abstract: Recently, the interaction of copper with dislocations in p-type Si/SiGe/Si structures has been investigated experimentally and a new dislocation related DLTS-level at Ev +0.32 eV was detected after intentional contamination with copper. To determine the origin of this newly detected level, in this work we present first density functional calculations of substitutional copper at 90◦ and 30◦ partial dislocations in silicon. Defect–dislocation binding energies are determined and electrical gap levels are calculated and compared with the experimental data. As a result, the observed level at Ev + 0.32 eV is tentatively assigned to the single acceptor level of substitutional copper at the dislocation.
Authors: A. Carvalho, R. Jones, J. Coutinho, Vitor J.B. Torres, Patrick R. Briddon
Abstract: We report on the energetics, electrical and optical activity of small self-interstitial (I3 and I4) clusters in Si, found from ab-initio density-functional modeling studies. I4 possesses nine local vibrational modes above the Raman edge, which account for up to three dipole-allowed vibronic transitions observed in recent experiments associated with the X-photoluminescent line. Another prominent photoluminescent line (known as the W-line) that shows a trigonal stress-induced splitting pattern, has been previously assigned to I3. Our analysis of the LVMs of a metastable form of I3 support this assignment.
Authors: Hisaomi Iwata, Sven Öberg, Patrick R. Briddon
Authors: B. Hourahine, R. Jones, Sven Öberg, Patrick R. Briddon
Authors: R. Jones, Jonathan P. Goss, Patrick R. Briddon, Sven Öberg
Authors: A.T. Blumenau, R. Jones, Sven Öberg, Patrick R. Briddon, Thomas Frauenheim
Authors: Jonathan P. Goss, Patrick R. Briddon, Nicolas G. Wright, Alton B. Horsfall
Abstract: The nature of the interaction between the substrate and the graphene is critical in terms of impact upon the graphene electron dispersion relation, and in terms of charge transfer. We present here the results of density functional simulations of 4H-SiC–graphene heterostructures using large, periodic simulation supercells. We show that covalent bonding between the substrate and graphene leads both to changes in the electronic structure, and extensive charge transfer, but that the larger simulation system yields qualitatively different electronic structure to that from the more usual p3 × p3R30◦ cell.
Authors: Hisaomi Iwata, Ulf Lindefelt, Sven Öberg, Patrick R. Briddon
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