Search results for: J. P. Goss

Authors: H. Afer, N. Rouag, R. Penelle

Abstract:

In the Fe-3%Si sheets, grade Hi-B, with AlN and MnS as inhibitors, the Goss grains which abnormally grow do not have a size greater than the average size of the primary matrix. In this heterogeneous microstructure, the size factor is not a required condition for the secondary recrystallization. The onset of the small Goss grain abnormal growth appears to be related to a particular behavior of their grain boundaries, to the local texture and to the distribution of the inhibitors. The presence and the evolution of oriented clusters ensure to the small Goss grains a favorable neighborhood to grow. The modified Monte-Carlo approach, which is applied, considers the local environment of each grain. The grain growth is dependent of its real spatial position; the matrix heterogeneity is then taken into account. The grain growth conditions are considered in the global matrix and in different matrixes corresponding to A component clusters. The grain growth behaviour is considered with introduction of energy only, energy and mobility, energy and mobility and precipitates.

Keywords: Abnormal grain growth, grain boundary energy andmobility, neighbourhood, oriented clusters.

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Authors: A. M. Gsiea, J. P. Goss, P. R. Briddon, K. M. Etmimi

Abstract:

In realizing devices using ZnO, a key challenge is the production of p-type material. Substitution of oxygen by a group-V impurity is thought to result in deep acceptor levels, but a candidate made up from a complex of a group-V impurity (P, As, Sb) on a Zn site coupled with two vacant Zn sites is widely viewed as a candidate. We show using density-functional simulations that in contrast to such a view, complexes involving oxygen interstitials are energetically more favorable, resulting in group-V impurities coordinated with four, five or six oxygen atoms.

Keywords: DFT, Oxygen, p-Type, ZnO.

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Authors: A. M. Gsiea, J. P. Goss, P. R. Briddon, Ramadan. M. Al-habashi, K. M. Etmimi, Khaled. A. S. Marghani

Abstract:

Using first-principles methods based on density functional theory and pseudopotentials, we have performed a details study of native defects in ZnO. Native point defects are unlikely to be cause of the unintentional n-type conductivity. Oxygen vacancies, which considered most often been invoked as shallow donors, have high formation energies in n-type ZnO, in edition are a deep donors. Zinc interstitials are shallow donors, with high formation energies in n-type ZnO, and thus unlikely to be responsible on their own for unintentional n-type conductivity under equilibrium conditions, as well as Zn antisites which have higher formation energies than zinc interstitials. Zinc vacancies are deep acceptors with low formation energies for n-type and in which case they will not play role in p-type coductivity of ZnO. Oxygen interstitials are stable in the form of electrically inactive split interstitials as well as deep acceptors at the octahedral interstitial site under n-type conditions. Our results may provide a guide to experimental studies of point defects in ZnO.

Keywords: DFT, Native, n-Type, ZnO.

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