Abstract
We have investigated the effects of local relaxation on the electronic structure of Mn atoms in (GaMn)As and the related properties of this dilute magnetic semiconductor (DMS). The nearest neighbours of the substitutional Mn atom have been considered for relaxed and non-relaxed conditions, while the other atoms have been left unaffected by the Mn impurity. Gallium Arsenide (GaAs), when doped with Mn atoms in a small concentration, becomes ferromagnetic retaining its semiconductor properties and it also acquires half metallic character. These characteristics of this DMS are vital for spintronic applications. We have implemented the scheme of pseudopotential method within the density functional formalism to calculate the electronic structure of (GaMn)As and computed the total density of states and partial density of states under the supercell scheme for unrelaxed and relaxed nearest neighbours of the substitutional Mn atom. We have also discussed a more realistic approach to calculate the local magnetic moment in this kind of systems. At the end, we have discussed the relevance of the present research work in the spintronic applications.
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Rana, N.K., Prasad, J.N. Effects of local relaxation on electronic structure of substitutional Mn atoms in (GaMn)As. Indian J Phys 86, 601–604 (2012). https://doi.org/10.1007/s12648-012-0095-1
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DOI: https://doi.org/10.1007/s12648-012-0095-1
Keywords
- Dilute magnetic semiconductors
- Jahn–Teller effect
- Density functional theory
- Band structure
- Density of states