Volume dependence of the Curie temperatures in diluted magnetic semiconductors

L. Bergqvist, B. Belhadji, S. Picozzi, and P. H. Dederichs
Phys. Rev. B 77, 014418 – Published 15 January 2008

Abstract

Using electronic structure methods and statistical methods, we have studied theoretically the volume dependence of the exchange interactions and Curie temperatures in the diluted magnetic semiconductors. In both Mn-doped GaAs and Mn-doped InAs, the calculated Curie temperatures from numerical exact Monte Carlo simulations are more or less constant for a large volume interval. We have compared the exchange mechanisms in Mn-doped GaAs using both the local density approximation (LDA) and the LDA+U method. It is demonstrated that the magnetic properties are understood within Zener’s pd exchange model for the LDA+U, while in LDA they reflect a mixture between double and pd exchange mechanisms.

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  • Received 18 September 2007

DOI:https://doi.org/10.1103/PhysRevB.77.014418

©2008 American Physical Society

Authors & Affiliations

L. Bergqvist1, B. Belhadji1, S. Picozzi2, and P. H. Dederichs1

  • 1Institut für Festkörperforschung, Forschungszentrum Jülich, D-52425 Jülich, Germany
  • 2Consiglio Nazionale delle Ricerche–Istituto Nazionale Fisica della Materia (CNR-INFM), 67010 Coppito, L’Aquila, Italy

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Vol. 77, Iss. 1 — 1 January 2008

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