Nontrivial Topological Features and Griffith’s-Phase Behavior in CrFeVGa Probed by Experiment and Theory

Nag, Jadupati; Sreeparvathy, P. C.; Venkatesh, R.; Babu, P. D.; Суреш, К. Г.; Alam, Aftab

doi:10.1103/physrevapplied.19.044071

Cited by 7 publications

(8 citation statements)

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“…To study the crystal structure, room temperature (RT) XRD patterns were taken. Details of the XRD and synchrotron XRD measurements can be found in the ref . FullProf Suite software was used to analyze the crystal structure.…”

Section: Methodsmentioning

confidence: 99%

“…10,11 ■ COMPUTATIONAL DETAILS To investigate the electronic and magnetic properties of CoRuVSi, we conducted ab initio calculations employing spinresolved density functional theory (DFT), 12 which was implemented in the Vienna Ab initio Simulation Package (VASP) 13−15 as described previously. 6 The tight-binding Hamiltonian was calculated using the Wannier90 simulation tool. 16−18 A total of 62 bands were wannierized by taking projections on atomic sites as Co (s, p, d), Ru (s, p, d), V (s, p, d), Si (s,p), etc.…”

Section: ■ Experimental Detailsmentioning

confidence: 99%

“…Polycrystalline samples of CoRuVSi were prepared using an arc melting system as described previously. 6 To study the crystal structure, room temperature (RT) XRD patterns were taken. Details of the XRD and synchrotron XRD measurements can be found in the ref 6.…”

Section: ■ Experimental Detailsmentioning

confidence: 99%

“…Thermoelectric power (TEP) measurement was carried out using an apparatus as described previously. 6 PCAR measurements were performed in PPMS by using a superconductive Nb tip. The measurement and analysis procedures have been previously described.…”

Section: ■ Experimental Detailsmentioning

confidence: 99%

“…The coexistence of diverse and intriguing properties in these systems creates opportunities for the development of multifunctional materials suitable for spintronics and other technological applications. Recent studies have prominently focused on tuning the electronic structure of Heusler alloys through defects and impurities to obtain the desired properties for applications. , As Heusler alloys are susceptible to antisite disorder, this disorder can be utilized to achieve a wide range of complex magnetic and electronic structures, resulting in a vast tuning capability. One of the primary objectives of this study is to comprehend the role of antisite disorder in band engineering and its effect on magnetoelectronic properties tuning.…”

Section: Introductionmentioning

confidence: 99%

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Topological Spin Semimetal Feature in a Fully Compensated Ferrimagnet CoRuVSi

Nag,

Venkatesh,

Jha

et al. 2023

ACS Appl. Electron. Mater.

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We have identified the quaternary Heusler alloy, CoRuVSi, as a new member of the recently discovered spin semimetals class through experimental and theoretical studies. At room temperature, CoRuVSi crystallizes in a cubic structure with partial L2 1 -type disorder according to synchrotron X-ray diffraction analysis. Magnetization data suggest a small net moment of ∼0.13 μ B (f.u.) −1 , attributed to the disorder, with no clear magnetic ordering at low temperatures. Electrical resistivity measurements provide compelling evidence of semimetallicity dominated by two-carrier conduction, while magnetoresistance data reveal a positive, sublinear, and nonsaturating behavior. Point-contact Andreev reflection spectra show a spin polarization of ∼50%, in good agreement with the simulated results. Furthermore, CoRuVSi exhibits a high thermopower factor of 0.7 mW m −1 K −2 at room temperature. Our ab initio simulations not only confirm the unique semimetallic nature of the material but also reveal a linear band crossing at ∼0.4 eV below the Fermi level due to band inversion, as well as topological nontrivial features of the band structure corroborated with the simulated Berry curvature, intrinsic anomalous Hall conductivity, and the Fermi surface. We have used a special quasi-random structure to simulate the partial L2 1 disorder, which plays a key role in correctly explaining the magnetism and anomalous Hall effect. The simulated anomalous Hall conductivity values for the fully and partially ordered structures are found to be 102 and 52 S (cm) −1 , respectively, with the latter in fairly good agreement with the experimentally measured value of 45 S (cm) −1 . The coexistence of these intriguing properties within a single material offers valuable insights for identifying other potential materials belonging to the same class using a similar strategy.

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Section: Methodsmentioning

confidence: 99%