Presence of antisite disorder and its characterization in the predicted half-metal<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Co</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mi mathvariant="normal">MnSi</mml:mi></mml:math>

Raphael, Marc P.; Ravel, Bruce; Huang, Q.; Willard, M. A.; Cheng, Shuo; Das, B. N.; Stroud, R. M.; Bussmann, K.; Claassen, J. H.; Harris, Vincent G.

doi:10.1103/physrevb.66.104429

Cited by 221 publications

(120 citation statements)

References 18 publications

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“…[17][18][19][20][21][22][23][24][25] Neutron diffraction experiment on Co 2 MnSi show 14% of Mn sites are occupied by Co and 5-7% of Co sites by Mn. 3 Similar results were observed by EXAFS. 26 Distribution of transition metals (X 1 , X 2 and Y ) among each other induces disorder and yields a DO 3 structure.…”

Section: Introductionsupporting

confidence: 79%

“…As evidenced in other similar systems, 3,[26][27][28][29] there is a high probability of finding such disorder in these systems. Particularly, antisite disorders up to 14% are shown to be present in few ternary alloys.…”

Section: Point Defects (Antisite Swap Vacancy)mentioning

confidence: 91%

“…Experimentally it is found to be 50-70% because of chemical disorder. [1][2][3] Thus, the half-metallic property plays a decisive role for magneto-electronics and spin-transport phenomena.…”

Section: Introductionmentioning

confidence: 99%

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Half-metallic Co-based quaternary Heusler alloys for spintronics: Defect- and pressure-induced transitions and properties

et al. 2016

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Heusler compounds offer potential as spintronic devices due to their spin-polarization and halfmetallicity properties, where electron spin-majority (minority) manifold exhibits states (band gap) at the electronic chemical potential, yielding full spin-polarization in a single manifold. Yet, Heuslers often exhibit intrinsic disorder that degrades its half-metallicity and spin-polarization. Using densityfunctional theory, we analyze the electronic and magnetic properties of equiatomic Heusler (L21) CoMnCrAl and CoFeCrGe alloys for effects of hydrostatic pressure and intrinsic disorder (thermal antisites, binary swaps, and vacancies). Under pressure, CoMnCrAl undergoes a metallic transition, while half-metallicity in CoFeCrGe is retained for a limited range. Antisite disorder between Cr-Al pair in CoMnCrAl alloy is energetically the most favorable, and retain half-metallic character in Crexcess regime. However, Co-deficient samples in both alloys undergo a transition from half-metallic to metallic, with a discontinuity in the saturation magnetization. For binary swaps, configurations that compete with the ground state are identified and show no loss of half-metallicity; however, the minority-spin bandgap and magnetic moments vary depending on the atoms swapped. For single binary swaps, there is a significant energy cost in CoMnCrAl but with no loss of half metallicity. Although a few configurations in CoFeCrGe energetically compete with the ground state, however the minority-spin bandgap and magnetic moments vary depending on the atoms swapped. These informations should help in controlling these potential spintronic materials.PACS numbers: 31.15. 75.50.Cc,

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Section: Introductionsupporting

confidence: 79%

Section: Point Defects (Antisite Swap Vacancy)mentioning

confidence: 91%

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Half-metallic Co-based quaternary Heusler alloys for spintronics: Defect- and pressure-induced transitions and properties

et al. 2016

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“…The magnetic and half-metallic properties of Heusler alloys depend crucially on the atomic order [27][28][29][30][31][32], as mentioned above: true half-metallicity with a spin polarization of 100% is theoretically predicted only for perfect longrange L2 1 crystal structure. Therefore, the preparation of Heusler alloy thin films with L2 1 crystal structure is of utmost importance for optimizing the performance of Heusler alloys in spintronic devices.…”

Section: Introductionmentioning

confidence: 99%

Thin films of the Heusler alloys Cu₂MnAl and Co₂MnSi: recovery of ferromagnetism via solid-state crystallization from the x-ray amorphous state

Erb¹,

Nowak²,

Westerholt³

et al. 2010

J. Phys. D: Appl. Phys.

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X-ray amorphous thin films of the Heusler alloys Cu 2 MnAl and Co 2 MnSi have been prepared by magnetron sputter deposition at room temperature. In the amorphous state the Cu 2 MnAl phase is non-ferromagnetic; Co 2 MnSi is weakly ferromagnetic with a ferromagnetic Curie temperature of 170 K. By solid-state crystallization at high temperatures strong ferromagnetic order and high Curie temperatures are established in both alloys. The saturation magnetization of the Co 2 MnSi alloy reaches 5.1µ B /f.u. at 4 K, corresponding to 100% of the theoretical value; for Cu 2 MnAl we obtain 2.8µ B /f.u. at 4 K, which corresponds to 87.5% of the theoretical value. In samples of the Co 2 MnSi phase with optimum saturation magnetization Bragg reflections as indicators of a long-range chemical order are missing, whereas for the Cu 2 MnAl phase Bragg reflections confirm epitaxial quality and long-range L2 1 order.

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“…4. Some of the experimental measurements of the electrical resistivity of Co-based Heusler alloys are reported by several workers, 7 µΩcm [15] for the single crystal, 106 µΩcm [16] for the thin film of Co 2 MnSi, and 0.2 µΩcm [17] for the single crystal, 41 µΩcm [18] for the thin film of Co 2 FeSi, respectively. These data seem to be good agreement with the calculated results, although there is no guarantee that the degree of the order, i.e.…”

Section: Resultsmentioning

confidence: 99%

First-principles study for electronic structure and physical property of Co-based Heusler alloys

Kota

Sakuma

2011

J. Phys.: Conf. Ser.

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Abstract.The statistical investigation of the physical property of Co-based Heusler alloys with the atomic composition or configuration dependence are carried out in first-principles approach. In particular, the electronic structure, magnetic moment and electrical resistivity due to disorder alloy effects of Co2MnAl1−zSiz (0.0 < z < 1.0) and Co2Mn1−yFeySi (0.0 < y < 1.0) with the L21, B2 and A2 structure are calculated by using the tight-binding linear muffin-tin orbital method combined with the coherent potential approximation based on the local spindensity functional approximation and by using the Kubo-Greenwood formula, respectively. The obtained results indicate that these properties of the Co-based Heusler alloys significantly depend on the atomic configuration and composition, especially, they are sensitive to the existence of the half-metallic property.

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Presence of antisite disorder and its characterization in the predicted half-metalCo2MnSi

Cited by 221 publications

References 18 publications

Half-metallic Co-based quaternary Heusler alloys for spintronics: Defect- and pressure-induced transitions and properties

Half-metallic Co-based quaternary Heusler alloys for spintronics: Defect- and pressure-induced transitions and properties

Thin films of the Heusler alloys Cu₂MnAl and Co₂MnSi: recovery of ferromagnetism via solid-state crystallization from the x-ray amorphous state

First-principles study for electronic structure and physical property of Co-based Heusler alloys

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Presence of antisite disorder and its characterization in the predicted half-metalCo2MnSi

Cited by 221 publications

References 18 publications

Half-metallic Co-based quaternary Heusler alloys for spintronics: Defect- and pressure-induced transitions and properties

Half-metallic Co-based quaternary Heusler alloys for spintronics: Defect- and pressure-induced transitions and properties

Thin films of the Heusler alloys Cu2MnAl and Co2MnSi: recovery of ferromagnetism via solid-state crystallization from the x-ray amorphous state

First-principles study for electronic structure and physical property of Co-based Heusler alloys

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Product

Resources

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Thin films of the Heusler alloys Cu₂MnAl and Co₂MnSi: recovery of ferromagnetism via solid-state crystallization from the x-ray amorphous state