Structural-induced antiferromagnetism in Mn-based full Heusler alloys: The case of Ni2MnAl

Galanakis, I.; Şaşıoğlu, E.

doi:10.1063/1.3565246

Cited by 52 publications

(45 citation statements)

References 30 publications

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“…Our calculations for Mn 2 Ga in the perfect C1 b structure gave an antiferromagnetic coupling of the Mn atoms at the A and B sites as expected from the Bethe-Slater curve and observed also in other cases of Mn-based Heusler compounds. 13 The two Mn atoms have absolute values of the spin magnetic moments exceeding the 3 l B which almost cancel each other (Ga carries a negligible spin moment as in other Heusler compounds) 8 and thus there is a very small total spin magnetic moment of À0.02 l B per unit cell. In Table I, we have gathered the total spin magnetic moments for all studied cases expressed per formula unit.…”

Section: Motivation and Computational Detailsmentioning

confidence: 99%

Effect of disorder on the magnetic properties of cubic Mn2RuxGa compounds: A first-principles study

Galanakis

Özdoğan

Şaşıoğlu

et al. 2014

Journal of Applied Physics

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We perform first-principles electronic structure calculations to explain the anomalous magnetic behavior of the Mn2RuxGa compounds upon Ru doping as shown experimentally recently by Kurt et al. [Phys. Rev. Lett. 112, 027201 (2014)]. Our results suggest that disorder caused by the distribution of the Mn and Ru atoms at various sites reproduces the experimental data. All compounds present antiparallel alignment of the neighboring Mn magnetic moments and, with the exception of Mn2RuGa, none of them presents half metallic behavior.

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Section: Motivation and Computational Detailsmentioning

confidence: 99%

Effect of disorder on the magnetic properties of cubic Mn2RuxGa compounds: A first-principles study

Galanakis

Özdoğan

Şaşıoğlu

et al. 2014

Journal of Applied Physics

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“…47 Even in ferromagnetic compounds like Ni 2 MnAl when disorder occurs and Mn atoms become closest-possible neighbors their spin moments are antiferromagnetically coupled. 48 …”

Section: Band Structure and Slater-pauling Behaviormentioning

confidence: 99%

Half-metallic antiferromagnetism in Cr2+xSe (0≤x≤
Galanakis
¹
,
Özdoğan
²
,
Şaşıoğlu
³

2012
Phys. Rev. B
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We study the behavior of the Cr 2+x Se alloys based on state-of-the-art first-principles electronic structure calculations. We show that these alloys are of special interest since they combine possible applications in spintronics devices with a series of diverse magnetic phenomena. First, we show that Cr 2 Se prefers the C1 b structure while Cr 3 Se crystallizes in the D0 3 lattice. Our calculations suggest that as we dope Cr 2 Se with Cr atoms and move towards Cr 3 Se, all alloys are half-metallic fully compensated ferrimagnets (also known as half-metallic antiferromagnets) with a gap in the spin-down band. All alloys follow a generalized version of the Slater-Pauling rule for the Heusler compounds and we show that for Cr 3 Se a small deviation occurs due to the antibonding single band created by the 4s states of the Cr and Se atoms in the spin-down band structure which crosses the Fermi level. In the case of Cr 3 Se we observe a metamagnetic behavior under hydrostatic pressure since Cr atoms with different symmetry present both itinerant and localized magnetic properties. Finally, calculations based on the frozen-magnon approximation reveal that the strong intersublattice antiferromagnetic coupling between the nearest-neighboring Cr atoms stabilizes the ferrimagnetic character of both Cr 2 Se and Cr 3 Se and leads to estimated Curie temperature exceeding considerably the room temperature. Combination of this feature together with the half-metallic antiferromagnetism makes the Cr 2+x Se alloys ideal for realistic spintronics applications.

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“…45 Corresponding theoretical calculations favor the antiparallel orientation of Mn [Mn] and Mn[Al] moments. 46 Possible short-range effects due to a chemical disorder are neglected here due to the use of the CPA. These effects can be included, however, in the framework of the LB approach.…”

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Spin-disorder resistivity of ferromagnetic metals from first principles: The disordered-local-moment approach

et al. 2012

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The paramagnetic spin-disorder resistivity (SDR) of transition-metal ferromagnets Fe, Co, Ni, ordered transition metal alloys Ni3Mn and Fe3Si as well as Ni2MnX (X=In,Sn,Sb) Heusler alloys is determined from first principles. SDR is evaluated similar to the residual resistivity by using the disordered local moment (DLM) model combined with the Kubo-Greenwood linear response calculation. The electronic structure is determined within the tight-binding linear muffin-tin orbital method and the coherent potential approximation (CPA) applied to the DLM state. We also estimate the temperature dependence of the resistivity below the Curie temperature using a simple model. The results agree well with the supercell Landauer-Büttiker calculations and, generally, with experimental data. For the Ni2MnSb Heusler alloy it is necessary to include substitutional disorder of B2-type to explain the experimental data.

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Structural-induced antiferromagnetism in Mn-based full Heusler alloys: The case of Ni2MnAl

Cited by 52 publications

References 30 publications

Effect of disorder on the magnetic properties of cubic Mn2RuxGa compounds: A first-principles study

Effect of disorder on the magnetic properties of cubic Mn2RuxGa compounds: A first-principles study

Half-metallic antiferromagnetism in Cr2+xSe (0≤x≤
Galanakis
¹
,
Özdoğan
²
,
Şaşıoğlu
³

2012
Phys. Rev. B
Self Cite
22
1
10
0
View full text Add to dashboard Cite

Spin-disorder resistivity of ferromagnetic metals from first principles: The disordered-local-moment approach

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Structural-induced antiferromagnetism in Mn-based full Heusler alloys: The case of Ni2MnAl

Cited by 52 publications

References 30 publications

Effect of disorder on the magnetic properties of cubic Mn2RuxGa compounds: A first-principles study

Effect of disorder on the magnetic properties of cubic Mn2RuxGa compounds: A first-principles study

Half-metallic antiferromagnetism in Cr2+xSe (0≤x≤Galanakis1, Özdoğan2, Şaşıoğlu3 2012Phys. Rev. BSelf Cite221100View full textAdd to dashboardCite

Spin-disorder resistivity of ferromagnetic metals from first principles: The disordered-local-moment approach

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Half-metallic antiferromagnetism in Cr2+xSe (0≤x≤
Galanakis
¹
,
Özdoğan
²
,
Şaşıoğlu
³

2012
Phys. Rev. B
Self Cite
22
1
10
0
View full text Add to dashboard Cite