Investigation of electronic structure, magnetic and transport properties of half-metallic Mn2CuSi and Mn2ZnSi Heusler alloys

Yousuf, Saleem; Bhat, Tahir Mohiuddin; Gupta, Dinesh C.

doi:10.1016/j.jmmm.2015.07.022

Cited by 64 publications

(19 citation statements)

References 34 publications

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“…These materials are being extensively scrutinized due to their possible applications in spintronics, magnetic tunnel junctions, magnetic random access memories, and other spin dependent devices. [8][9][10][11][12] Among the reported half-metallic alloys, Heusler alloys are most attractive due to their high curie temperature (T C ) and their structure similarity to that of zinc blend and rock salt. The band gap in one of the spin channels results in 100% spin polarization in the vicinity of Fermi level.…”

Section: Introductionmentioning

confidence: 99%

“…Members of different families of alloys, viz, Heusler, pnictides, perovskites, chalcogenides, etc, are reported to exhibit halfmetallic nature. [8][9][10][11][12] Among the reported half-metallic alloys, Heusler alloys are most attractive due to their high curie temperature (T C ) and their structure similarity to that of zinc blend and rock salt. 13,14 A large number of Heusler alloys are predicted to demonstrate half-metallic nature, which is further confirmed by experimentalists.…”

Section: Introductionmentioning

confidence: 99%

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Exploration of highly correlated Co‐based quaternary Heusler alloys for spintronics and thermoelectric applications

Seh

Gupta

2019

Int J Energy Res

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Summary The half‐metallic character of new quaternary Heusler alloys CoXMnAs (X = Ru, Rh) is established along with their thermoelectric, mechanical, and thermodynamic properties. The optimization of energy suggests that alloys are stable in Y2‐type structure with a ferromagnetic character. The electronic band profile through generalized gradient approximation and modified Becke‐Johnson potential indicates the metallic character of alloys. However, with inclusion of Hubbard potential to generalized gradient approximation, the alloys depict half‐metallic character with semiconducting nature in spin‐down state. The alloys possess high magnetic moment, CoRuMnAs has 5 μB, whereas CoRhMnAs has 6 μB, following Slater‐Pauling rule MT = ZT − 24. The narrow band gap in spin‐down channel enhances the thermoelectric properties. The maximum value for thermopower (|S|) obtained is 44.3 and 53.44 μV/K for CoRuMnAs and CoRhMnAs, respectively. The variation of electrical conductivity, Seebeck coefficient, and figure of merit affirm increasing trend with temperature, which is a good indication of materials to be used in thermoelectric technology. The mechanical stability along with ductile nature of alloys is determined through elastic constants. Further, we have calculated thermodynamic properties and have established their dependence on temperature and pressure using quasi‐harmonic Debye model. The half‐metallic nature with efficient thermoelectric parameters strongly supports the possible application of alloys for spin devices and green energy generation.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Exploration of highly correlated Co‐based quaternary Heusler alloys for spintronics and thermoelectric applications

Seh

Gupta

2019

Int J Energy Res

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“…27 A signicant amount of theoretical and experimental investigations are in progress to explore the physical properties of Mn-based candidates 28 as observed from literature, but new Mn-based Heusler alloys are waiting to be discovered with better and untapped properties. Although detailed studies on Mn 2 ZnSi(Ge) have been reported by previous authors, [29][30][31][32] there exist some discrepancies in their reports. In this context, Wei et al 31 have estimated a smaller lattice constant of 5.75Å for Mn 2 ZnGe as compared to that of Mn 2 ZnSi (5.80Å), 29,30 which could be due to the larger atomic size of Ge than that of Si.…”

Section: Introductionmentioning

confidence: 94%

“…Although detailed studies on Mn 2 ZnSi(Ge) have been reported by previous authors, [29][30][31][32] there exist some discrepancies in their reports. In this context, Wei et al 31 have estimated a smaller lattice constant of 5.75Å for Mn 2 ZnGe as compared to that of Mn 2 ZnSi (5.80Å), 29,30 which could be due to the larger atomic size of Ge than that of Si. A similar anomaly was also communicated in their electronic properties.…”

Section: Introductionmentioning

confidence: 94%

Study of half metallicity, structural and mechanical properties in inverse Heusler alloy Mn₂ZnSi_(1−x)Ge_x and a superlattice

et al. 2019

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“…The power factor, PF (= S 2 σ), is used as a measure of the power generation from the TE materials. Recently, research on full-Heusler compounds as a TE material has made rapid progress [7][8][9][10][11][12][13][14][15][16][17][18]. Most full-Heusler compounds possess magnetism which enriches a possibility to achieve high TE properties.…”

Section: Introductionmentioning

confidence: 99%

Distinct impact of order degree on thermoelectric power factor of p-type full-Heusler Mn₂VAl compounds

Hayashi

Dong

et al. 2020

Mater. Res. Express

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Full-Heusler compounds have three crystal structures with a different order degree; the highly ordered L2 1 , partially disordered B2, and completely disordered A2 structures. To reveal the effects of the order degree on thermoelectric (TE) properties of the full-Heusler compounds, Mn 2 VAl samples with varied L2 1 and B2 order degrees are prepared by changing preparation conditions, and their Seebeck coefficients and electrical conductivities are measured in a wide temperature range. As the B2 order degree becomes higher, the Seebeck coefficient increases, leading to the increase of the power factor (PF). The maximum PF is 2.84×10 −4 Wm −1 K −2 at 767 K for the Mn 2 VAl sample with the highest B2 order degree. This study demonstrates that the TE properties of Mn 2 VAl can be enhanced by increasing the fraction of the B2 phase. A relation between the Seebeck coefficient and crystal structures is also discussed based on the calculation of the electronic density of states of Mn 2 VAl with the L2 1 and B2 structures.

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Investigation of electronic structure, magnetic and transport properties of half-metallic Mn2CuSi and Mn2ZnSi Heusler alloys

Cited by 64 publications

References 34 publications

Exploration of highly correlated Co‐based quaternary Heusler alloys for spintronics and thermoelectric applications

Exploration of highly correlated Co‐based quaternary Heusler alloys for spintronics and thermoelectric applications

Study of half metallicity, structural and mechanical properties in inverse Heusler alloy Mn₂ZnSi_(1−x)Ge_x and a superlattice

Distinct impact of order degree on thermoelectric power factor of p-type full-Heusler Mn₂VAl compounds

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Investigation of electronic structure, magnetic and transport properties of half-metallic Mn2CuSi and Mn2ZnSi Heusler alloys

Cited by 64 publications

References 34 publications

Exploration of highly correlated Co‐based quaternary Heusler alloys for spintronics and thermoelectric applications

Exploration of highly correlated Co‐based quaternary Heusler alloys for spintronics and thermoelectric applications

Study of half metallicity, structural and mechanical properties in inverse Heusler alloy Mn2ZnSi(1−x)Gex and a superlattice

Distinct impact of order degree on thermoelectric power factor of p-type full-Heusler Mn2VAl compounds

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Study of half metallicity, structural and mechanical properties in inverse Heusler alloy Mn₂ZnSi_(1−x)Ge_x and a superlattice

Distinct impact of order degree on thermoelectric power factor of p-type full-Heusler Mn₂VAl compounds