CoFeVSb: A promising candidate for spin valve and thermoelectric applications

Nag, Jadupati; Rani, Deepika; Singh, Durgesh; Venkatesh, R.; Sahni, Bhawna; Yadav, Ashok K.; Jha, S. N.; Bhattacharyya, D.; Babu, P. D.; Суреш, К. Г.; Alam, Aftab

doi:10.1103/physrevb.105.144409

Cited by 23 publications

(12 citation statements)

References 49 publications

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“…4 eV below E F , supported by a band inversion near the X point (see the inset of Fig.12(c)). The simulated Berry curvature, Fermi surface (for band #25, 26) and the band positions for the L2 1 disordered phase of CoRuVSi are shown in Fig.13.…”

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confidence: 79%

“…The crystal structure can be viewed as four interpenetrating fcc sub-lattices with Wyckoff positions 4a(0, 0, 0), 4b(0.5, 0.5, 0.5), 4c(0.25, 0.25, 0.25), and 4d(0.75, 0.75, 0.75). In general, for a QHA XX YZ, there exist three possible energetically non-degenerate structural configurations [4] (keeping Z-atom at 4a-site) as follows:…”

Section: A Crystal Structurementioning

confidence: 99%

“…PF varies linearly with T and attains a maximum value of 0.7 mW att/m − K 2 at RT, which is reasonably high as compared to many Heuslerbased TE materials, [33] and also comparable with other reported promising TE materials. [4,5,[34][35][36] To get an idea about the carrier density (n) and E F , S-data is fitted with the equation S d =S 0 +sT in the high-T regime, where S d is the diffusion thermopower, S 0 is a constant and s=…”

Section: Thermoelectric Powermentioning

confidence: 99%

“…Heusler alloys are known to exhibit exotic phenomena as well as novel potential applications, which have stimulated a tremendous interest in physics and materials technology. Many systems from this family are reported to be promising spintronic materials such as half-metals (HM) [1] spin gapless semiconductors (SGS), [2] bipolar magnetic semiconductors (BMS), [3] spin-valve [4] etc. Most of the reported Heusler materials are superior to other materials from the application point of view because of their stable structure and high spin-polarization.…”

Section: Introductionmentioning

confidence: 99%

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CoRuVSi: A potential candidate for spin semimetal with promising spintronic and thermoelectric properties

Nag¹,

Venkatesh²,

Jha³

et al. 2023

Preprint

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Based on our experimental and theoretical studies, we report the identification of the quaternary Heusler alloy, CoRuVSi as a new member of the recently discovered spin semimetals class. Spin polarised semimetals possess a unique band structure in which one of the spin bands shows semimetallic nature, while the other shows semiconducting/insulating nature. Our findings show that CoRuVSi possesses interesting spintronic and thermoelectric properties. It crystallizes in perfect cubic structure with a partial L21-type disorder at room temperature. Magnetization data reveal a weak ferri-/antiferro magnetic ordering at low temperatures, with only a very small moment ∼ 0.13 µB/f.u., attributed to the disorder. Transport results provide strong evidence of semimetallicity dominated by two-band conduction, while magnetoresistance data show a non-saturating, linear, positive, magnetoresistance. Spin polarization measurements using point-contact Andreev reflection spectra reveal a reasonably high spin polarization of ∼ 50%, which matches fairly well with the simulated result. Furthermore, CoRuVSi shows a high thermopower value of 0.7 mW att/m − K 2 at room temperature with the dominant contribution from the semimetallic bands, rendering it as a promising thermoelectric material as well. Our ab-initio simulation not only confirms a unique semimetallic feature, but also reveals that the band structure hosts a linear band crossing at ∼ -0.4 eV below the Fermi level incorporated by a band-inversion. In addition, the observed topological non-trivial features of the band structure is corroborated with the simulated Berry curvature, intrinsic anomalous Hall conductivity and the Fermi surface. The partial L21 disorder is simulated using a special quasi random structure, which plays a crucial role in correctly explaining the magnetism and anomalous Hall effect. The simulated anomalous Hall conductivity for ordered and L21 disordered phase of CoRuVSi is found to be 102 and 52 S/cm, the later agrees fairly well with the experimentally measured value (45 S/cm). The coexistence of many interesting properties relevant for spintronic, topological and thermoelectric applications in a single material is extremely rare and hence this study could promote a similar strategy to identify other potential materials belonging to same class.

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confidence: 79%

Section: A Crystal Structurementioning

confidence: 99%

Section: Thermoelectric Powermentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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CoRuVSi: A potential candidate for spin semimetal with promising spintronic and thermoelectric properties

Nag¹,

Venkatesh²,

Jha³

et al. 2023

Preprint

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“…6 The total spin magnetic moment of FeCr-based QHA is found to be 1.00 to 4.00m B per formula unit conrms that the alloys are halfmetallic ferromagnets in nature. 7 In recent years, half metallic, thermoelectric and optical properties in Heusler alloys and perovskite have received a lot of attention from researcher, [8][9][10][11] XTiCl 3 (X = Rb, Cs), 12 FeCrMnSb, 13 FeNbScZ (Z = Al, Ga, Ge, Si), 14 FeCrRuZ (Z = Al, Ga, In & Si), 15 Fe 2 TaZ (Z = Al, Ga & In), 16 Fe 2 VAl, 17 Fe 2 TiZ (Z = Ga, Ge, As, In, Sn & Sb), 18 Fe 2 -TiSi, Fe 2 TiGe and Fe 2 ZrSi, 19 Fe 2 CrSb, 20 Fe 2 TaZ (Z = Al, Ga, In), 21 FeZrTiZ (Z = Si, Sn, Pb), 22 FeCrRuSi, 23 CoZrCrZ (Z = Al, Ga, In), 24 Mn 2 MgGe, 25 XRuCrZ (X = Co, Ni, Rh and Pd; Z = Si and Ge), 26 XCaB (X = Li, Na, K and Rb), 27 ZrTiRhZ (Z = Ge, Sn), 28 CoFeVSb, 29 YFeCrZ (Z = Al, Sb & Sn), 30 CoFeXSn (X = Ru, Zr, Hf & Ta), 31 CoFeRGa (R = Ti, V, Cr, Mn, Cu and Nb), 32 MNiSn 33 Mn 2 ZrX (X = Ge, Si). 34 Alloys have been discovered to be halfmetallic.…”

Section: Introductionmentioning

confidence: 99%