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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Kronik, Leeor
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (20/20 displayed)
- 2021Mechanism and Timescales of Reversible p‐Doping of Methylammonium Lead Triiodide by Oxygencitations
- 2021Mechanism and Timescales of Reversible p‐Doping of Methylammonium Lead Triiodide by Oxygencitations
- 2019Constructing the Electronic Structure of CH3NH3PbI3 and CH3NH3PbBr3 Perovskite Thin Films from Single-Crystal Band Structure Measurementscitations
- 2018Effect of Internal Heteroatoms on Level Alignment at Metal/Molecular Monolayer/Si Interfacescitations
- 2017Biologically Controlled Morphology and Twinning in Guanine Crystalscitations
- 2016Valence and Conduction Band Densities of States of Metal Halide Perovskitescitations
- 2016Enhanced Magnetoresistance in Molecular Junctions by Geometrical Optimization of Spin-Selective Orbital Hybridizationcitations
- 2016High Chloride Doping Levels Stabilize the Perovskite Phase of Cesium Lead Iodidecitations
- 2016Optical phonons in methylammonium lead halide perovskites and implications for charge transportcitations
- 2015Multiscale approach to the electronic structure of doped semiconductor surfacescitations
- 2015"Guanigma"citations
- 2015"guanigma":The Revised Structure of Biogenic Anhydrous Guaninecitations
- 2013Effect of molecule-surface reaction mechanism on the electronic characteristics and photovoltaic performance of molecularly modified Sicitations
- 2010Hg/Molecular Monolayer-Si Junctionscitations
- 2006Spin-polarized electronic structure of Mn-IV-V2 chalcopyritescitations
- 2005Size-dependent spintronic properties of dilute magnetic semiconductor nanocrystalscitations
- 2004Electronic structure and spin polarization of MnGaPcitations
- 2002Electronic structure and spin polarization of MnxGa1-xNcitations
- 2001Electronic structure and spin polarization of Mn-containing dilute magnetic III-V semiconductorscitations
- 2000Frontier orbital model of semiconductor surface passivation
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article
Electronic structure and spin polarization of Mn-containing dilute magnetic III-V semiconductors
Abstract
<p>We present ab initio density-functional calculations for the electronic structure of the dilute magnetic semiconductors MnxGa1-xAs and MnxIn1-xAs with a realistic x = 0.063. We find that the introduction of Mn perturbs the position of the nearest As atoms, but does not break the tetrahedral symmetry. Neither material is found to be strictly half metallic. However, in both materials the Mn content results in a majority-spin valence-band maximum that is similar to0.5 eV above the minority-spin valence-band maximum. This large valence-band split is primarily due to the hybridization of As 4p and Mn 3d orbitals. It results in a significant energy range where holes have a well-defined spin. The effective masses of holes in this range are found to be comparable to those of GaAs and InAs. Hence, in an ideal, disorder-free situation, spin-polarized transport may be explained by conventional transport in the context of a simple band picture. This leads to a theoretical limit of 100% spin injection from these materials. Attaining this limit in a sufficiently ordered material also requires a careful "engineering" of the Fermi-level position and a sufficiently low temperature.</p>