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Exchange interaction for Mn acceptor in GaAs: revealing its strong deformation dependence

Published 12 Jan 2023 in cond-mat.mtrl-sci and cond-mat.mes-hall | (2301.05038v1)

Abstract: In this paper we calculate exchange interaction constant between manganese ion inner electronic $d$-shell and GaAs valence band bounded hole using their microscopic multiparticle wave functions. We reveal its parametric dependence on crystal lattice deformations and find out that it could be about and even more than dozens percent when the strain tensor reaches values of $10{-3} \div 10{-2}$. This fact is in accordance with the previous hypothesis of deformation dependence of Mn acceptors in GaAs fine energy structure obtained from Raman spectroscopy, and we show that this dependence has the same magnitude. Also, we resolve here the problem of a substantial high temperature mismatch between well-developed theory and experimental data for the static magnetic susceptibility of Mn ions in GaAs. We show by numerical estimates and calculations that quite a strong parametric dependence of the exchange coupling value on GaAs lattice expansion determines the high temperature (above $50~$K) magnetic susceptibility reduction as well.

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