Multi-Orbital Lattice Model for (Ga,Mn)As and Other Lightly Magnetically Doped Zinc-Blende-Type Semiconductors

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dc.creatorMoreo, A.
dc.creatorYildirim, Y.
dc.creatorAlvarez, G.
dc.date2007-10-02
dc.date.accessioned2026-07-07T08:33:35Z
dc.date.available2026-07-07T08:33:35Z
dc.descriptionWe present a Hamiltonian in real space which is well suited to study numerically the behavior of holes introduced in III-V semiconductors by Mn doping when the III$^{3+}$ ion is replaced by Mn$^{2+}$. We consider the actual lattice with the diamond structure. Since the focus is on light doping by acceptors, a bonding combination of III and V p-orbitals is considered since the top of the valence band, located at the $Γ$ point, has p character in these materials. As a result, an effective model in which the holes hop between the sites of an fcc lattice is obtained. We show that around the $Γ$ point in momentum space the Hamiltonian for the undoped case is identical to the one for the Luttinger-Kohn model. The spin-orbit interaction is included as well as the on-site interaction between the spin of the magnetic impurity and the spin of the doped holes. The effect of Coulomb interactions between Mn$^{2+}$ and holes, as well as Mn$^{3+}$ doping are discussed. Through large-scale Monte Carlo simulations on a Cray XT3 supercomputer, we show that this model reproduces many experimental results for ${\rm Ga_{\it 1-x}Mn_{\it x}As}$ and ${\rm Ga_{\it 1-x}Mn_{\it x}Sb}$, and that the Curie temperature does not increase monotonically with $x$. The cases of Mn doped GaP and GaN, in which Mn$^{3+}$ is believed to play a role, are also studied.
dc.description17 pages, 11 figures
dc.identifierhttps://arxiv.org/abs/0710.0577
dc.identifierhttp://arxiv.org/abs/0710.0577
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/139180
dc.subjectMaterials Science
dc.titleMulti-Orbital Lattice Model for (Ga,Mn)As and Other Lightly Magnetically Doped Zinc-Blende-Type Semiconductors
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