Absence of half-metallicity in defect-free digital magnetic heterostructures<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>δ</mml:mi></mml:mrow></mml:math>-doped with Cr and Mn

Beiuşeanu, F.; Horea, C.; Macocian, E.; Jurcut, T.; Vitos, Levente; Chioncel, Liviu

doi:10.1103/physrevb.83.125107

Cited by 13 publications

(9 citation statements)

References 52 publications

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“…The density of NQP states vanishes at E F at zero temperature and increases on the energy scale of the order of a characteristic magnon frequency [2,14,[73][74][75]. This has been calculated from first principles for semi-Heuslers [14,15], Heuslers [16,76], zinc-blend half-metals [55,77], and heterostructures [78,79].…”

Section: Electronic Structure Of Bulk Nimnsbmentioning

confidence: 99%

Spin-polarized ballistic conduction through correlated Au-NiMnSb-Au heterostructures

et al. 2017

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We examine the ballistic conduction through Au-NiMnSb-Au heterostructures consisting of up to four units of the half-metallic NiMnSb in the scattering region, using density functional theory (DFT) methods. For a single NiMnSb unit the transmission function displays a spin polarization of around 50% in a window of 1 eV centered around the Fermi level. By increasing the number of layers, an almost complete spin polarization of the transmission is obtained in this energy range. Supplementing the DFT calculations with local electronic interactions, of Hubbard-type on the Mn sites, leads to a hybridization between the interface and many-body states. The significant reduction of the spin polarization seen in the density of states is not apparent in the spin polarization of the conduction electron transmission, which suggests that the hybridized interface and many-body induced states are localized.

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Section: Electronic Structure Of Bulk Nimnsbmentioning

confidence: 99%

Spin-polarized ballistic conduction through correlated Au-NiMnSb-Au heterostructures

et al. 2017

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“…Previous results have shown that the detailed nature of states around E F in bulk CrAs is changed when different lattice constants or models for electronic correlations are considered, while the overall features of the electronic structure are preserved. 30 Clearly, the final answer as to the accuracy of the electronic structure model can only be given by comparison to experiment.…”

Section: Lmto Electronic Structure Calculations and The Zb Cras/zmentioning

confidence: 99%

“…29 Essentially, the same effect was found for defect-free digital magnetic heterostructures d-doped with Cr and Mn. 30 In addition, both studies indicate that the minority spin highest valence states below the Fermi level are localized more in the GaAs layers, while the lowest conduction band states have a many-body origin derived from CrAs. Therefore, independent of the presence of electronic correlations in these heterostructures holes and electrons may remain separated among different layers, which may be detected in photo-absorption measurements.…”

Section: Introductionmentioning

confidence: 97%

Theoretical investigation of spin-filtering in CrAs/GaAs heterostructures

Stickler

Ertler

Pötz

et al. 2013

Journal of Applied Physics

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The electronic structure of bulk zinc-blende GaAs, zinc-blende and tetragonal CrAs, and CrAs/GaAs supercells, computed within linear muffin-tin orbital (LMTO) local spin-density functional theory, is used to extract the band alignment for the [1,0,0] GaAs/CrAs interface in dependence of the spin orientation. With the lateral lattice constant fixed to the experimental bulk GaAs value, a local energy minimum is found for a tetragonal CrAs unit cell with a longitudinal ([1,0,0]) lattice constant reduced by %2%. Due to the identified spin-dependent band alignment, half-metallicity of CrAs no longer is a key requirement for spin-filtering. Based on these findings, we study the spin-dependent tunneling current in [1,0,0] GaAs/CrAs/GaAs heterostructures within the non-equilibrium Green's function approach for an effective tight-binding Hamiltonian derived from the LMTO electronic structure. Results indicate that these heterostructures are promising candidates for efficient room-temperature all-semiconductor spin-filtering devices. V C 2013 AIP Publishing LLC.

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“…According to the Jullierre formula, 6 NiMnSb or any other half-metal can exhibit infinite magnetoresistance (MR). Due to difficulties in the growth and various dynamic processes, such as surface effects 7,8 and spin-flip transitions, [9][10][11] there has not yet been a device fabricated using half-metallic half-Heusler alloys, although many XMnY alloys, where X is another TM and Y is a non-metallic atom, have been predicted to be halfmetals. The variety of possible three-element compounds provides a unique opportunity to explore new half-metals with potential applications in spintronic devices.…”

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confidence: 99%

Structural variants and the modified Slater-Pauling curve for transition-metal-based half-Heusler alloys

Shaughnessy

Damewood

Fong

et al. 2013

Journal of Applied Physics

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We compare the physical differences between two atomic configurations, found in the literature, of the half-Heusler alloys-XMnY, where X is a transition-metal element and Y is a nonmetallic element. The structural differences arise from the placement of the X and Y atoms and the vacancy within the full-Heusler (L2(1)) structure. In one configuration, Y and Mn are nearest neighbors and the vacancy is at (1/4,3/4,1/4)a (4d) while in the other configuration, X and Mn are nearest neighbors and the vacancy is located at (0,0,1/2)a (4b), where a is the lattice constant of face-centered cube. We suggest that the important difference between the two configurations is the identity of the transition-metal element nearest to the non-metal element. Physical properties, in particular the bonding features, reflect this difference. The general validity of the modified Slater-Pauling curve, which gives successful zeroth-order prediction of the magnetic moments of many half-Heusler alloys including CrMnSb in the second configuration, is tested in the six XMnY alloys studied here. Their calculated moments obey the predictions by the modified Slater-Pauling curve for positive moments only. Exceptions appear for predictions with negative moments. A simple and plausible physical reason is provided. Furthermore, the possibility of a non-ferromagnetic phase is examined and the energetics between the ferromagnetic and non-ferromagnetic phases are compared. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4788825

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Absence of half-metallicity in defect-free digital magnetic heterostructuresδ-doped with Cr and Mn

Cited by 13 publications

References 52 publications

Spin-polarized ballistic conduction through correlated Au-NiMnSb-Au heterostructures

Spin-polarized ballistic conduction through correlated Au-NiMnSb-Au heterostructures

Theoretical investigation of spin-filtering in CrAs/GaAs heterostructures

Structural variants and the modified Slater-Pauling curve for transition-metal-based half-Heusler alloys

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