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Gupta, Shuvankar

Publications and source records attributed to Gupta, Shuvankar.

10 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Defect-induced formation and frustration-driven multiple magnetic transitions in Gd 2 Co 0.90 Si 2.90

A new ternary compound, Gd 2 Co 0.90 Si 2.90 , has been synthesized in a chemically single phase by deliberately introducing lattice vacancies in the Co and Si sites. The system is characterized by DC magnetization, heat capacity, resistivity and density functional theory (DFT) calculations. Here, a detailed experimental study reveals that the system exhibits an antiferromagnetic transition below T N = 11.3 K followed by spin freezing behaviour below T B ~ 4.8 K. An additional high-temperature magnetic transition could also be detected at T H ~ 150 K, which is short range in character and is associated with defect-induced polarization of the conduction electrons. The spin-glass-like state formation in the system is additionally bolstered by the observation of magnetic relaxation and associated aging phenomena as well as the magnetic memory effect. On the basis of non-equilibrium dynamical behaviour, we argue that the glassy state in this compound favours the hierarchical model over the droplet model. DFT calculations and experimental outcomes establish that the ground state is magnetically frustrated due to the small energy difference between distinct spin configurations having closely spaced ground-state energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Large adiabatic temperature change and magnetic frustration in triangular lattice antiferromagnet Dy 2 IrSi 3

While previous studies reveal that the formation of polycrystalline R 2 TX 3 (R = rare-earth, T = transition metal, X = p-block element) type compounds with T = Ir and Co is not achievable without deliberate introduction of atomic vacancies of Ir/Co and Si, here we report successful synthesis of Dy 2 IrSi 3 with fully stoichiometric ratio of constituent elements. An antiferromagnetic transition is manifested in the compound at 6.6 K where only about 50 % of Dy spins take part, while the rest remain in highly frustrated state due to edge-sharing triangular lattice geometry. The magnetic frustration is conclusively probed through magnetization, heat capacity and magnetocaloric study and the frustration parameter (f = |θ p |/T N , θ p , T N being Curie-Weiss and Néel temperatures, respectively) in this case is as large as ~ 3. An additional cluster-glass type transition at ~2.8 K observed in this system has likely been originated due to this magnetic frustration. The magnetocaloric effect reveals an adiabatic temperature change of ~7.5 K for 70 kOe magnetic field, which is one of the largest values reported in intermetallic compounds.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Origin of magnetic ordering in half-Heusler RuMnGa

The half-Heusler alloy RuMnGa having valence electron count (VEC) 18 has recently been theoretically proposed to exhibit compensated ferrimagnetic (CFiM) character instead of the expected nonmagnetic ground state. On the other hand, a preliminary experimental study proposed ferromagnetic (FM) ordering. As no half-Heusler system with VEC 18 is known to exhibit magnetic ordering, we have investigated the details of crystal structure and magnetic properties of RuMnGa using a combination of experimental tools, viz., x-ray and neutron diffraction techniques, dc and ac susceptibility, isothermal magnetization, heat capacity, resistivity and neutron depolarisation measurements. Rietveld refinements of x-ray and neutron diffraction data suggest single phase nature of the compound with elemental composition RuMn 0.86 Ga 1.14 . We have shown that the system exhibits FM-type ordering owing to the inherent presence of this minor off-stoichiometry, showing very low magnetic moment. Further, the system also exhibits reentrant canonical spin-glass behavior, which is rarely observed in half-Heusler alloys. The temperature coefficient of resistivity changes its sign from negative to positive and further to negative as the temperature decreases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

4 d element induced improvement of structural disorder and development of weakly reentrant spin-glass behavior in NiRuMnSn

The pursuit of efficient spin polarization in quaternary Heusler alloys with the general formula XX'YZ (where X, X', and Y are transition metals and Z is a p-block element) has been a subject of significant scientific interest. While previous studies showed that isoelectronic substitution of a 4d element in place of a 3d element in quaternary Heusler alloys improves the half-metallic ferromagnetic characteristics, our research here, on the quaternary Heusler alloy NiRuMnSn, reveals a strikingly different scenario. In this study, we present a detailed structural analysis of the material using x-ray absorption fine structure and neutron diffraction techniques which confirms the formation of a single-phase compound with 50:50 site disorder between Ni and Ru atoms at 4c and 4d sites. Contrary to expectations, our density functional theory calculations suggest a considerable decrease in spin polarization even in the ordered structure. Additionally, we report on the compound's exceptional behavior, displaying a rare reentrant spin-glass property below ~ 60 K, a unique and intriguing feature for quaternary Heusler-type compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

High spin polarization in the disordered quaternary Heusler alloy FeMnVGa

Here in this paper, we report the successful synthesis of a Fe-based highly spin-polarized quaternary Heusler alloy FeMnVGa and its structural, magnetic, and transport properties probed through different experimental methods and theoretical techniques. Density functional theory (DFT) calculations performed on different types of structures reveal that the structure with Ga at 4a, V at 4b, Mn at 4c, and Fe at 4d (space group F$\bar{4}$3m) possess minimum energy among all the ordered variants. Ab initio simulations in the most stable ordered structure show that the compound is a ferromagnet having a large spin-polarization (89.9%). Neutron diffraction reveals that the compound crystallizes in disordered type-2 structure (space group Fm$\bar{3}$m) in which Ga occupies at 4a, V 4b and Fe/Mn occupy 4c/4d sites with 50:50 proportions. The structural disorder is further confirmed by x-ray diffraction, extended x-ray absorption fine structure, 57 Fe Mössbauer spectrometry results, and DFT calculations. Magnetization studies suggest that the compound orders ferromagnetically below T C ~ 293 K and the saturation magnetization follows the Slater-Pauling rule. Mössbauer spectrometry, along with neutron diffraction, suggest that Mn is the major contributor to the total magnetism in the compound, consistent with the theoretical calculations, which also indicates that spin polarization remains high (81.3%), even in the presence of such large atomic disorder. The robustness of the half-metallic ferromagnetic (HMF) property in the presence of disorder is a quite unique characteristic over other reported HMF in literature and makes this compound quite promising for spintronics applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Experimental observation of spin glass state in the highly disordered quaternary Heusler alloy FeRuMnGa

The realization of the spin-glass (SG) state in Heusler alloys is very rare despite the presence of inherent structural and elemental disorder in those compounds. Although a few half- and full-Heusler alloys are known to exhibit the SG state, there is hardly any manifestation of the same in cases of quaternary Heusler compounds. Here we report the observation of a SG state in a highly disordered equiatomic quaternary Heusler compound: FeRuMnGa where the SG state is in between the canonical SG and the cluster glass. Different intricate features of the SG state including nonequilibrium magnetic dynamics at low temperatures in the compound are unveiled through our comprehensive magnetic, heat capacity, and neutron-diffraction studies. Further the structural disorder in the sample is neither conventional A2 - nor B2 -type whereas those two types are commonly observed for Heusler compounds. The presence of disorder also plays a significant role in electron transport properties of the alloy, which is reflected in its exhibition of semimetallic behavior and anomalous Hall effect at low temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Magnetic frustration driven by conduction carrier blocking in Nd 2 Co 0.85 Si 2.88

The intermetallic compound Nd 2 Co 0.85 Si 2.88 having a triangular lattice could be synthesized in single phase only with defect crystal structure. Investigation through different experimental techniques indicate the presence of two magnetic transitions in the system. As verified experimentally and theoretically, the high-temperature transition $T_H$ ~ 140 K is associated with the development of ferromagnetic interaction between itinerant Co moments, whereas the low-temperature transition at $T_L$ ~ 6.5 K is due to the coupling among Nd–4$\textit{f}$ and Co–3$\textit{d}$ moments, which is antiferromagnetic in nature. Detailed studies of temperature-dependent dc magnetic susceptibility, field dependence of isothermal magnetization, nonequilibrium dynamical behavior, viz., magnetic relaxation, aging effect, magnetic-memory effect, and temperature dependence of heat capacity, along with density functional theory (DFT) calculations, suggest that the ground state is magnetically frustrated spin glass in nature, having competing magnetic interactions of equivalent energies. DFT results further reveal that the 3$\textit{d}$/5$\textit{d}$-conduction carriers are blocked in the system and act as a barrier for the 4$\textit{f}$–4$\textit{f}$ RKKY interactions, resulting in spin frustration. Presence of vacancy defects in the crystal are also conducive to the spin frustration. This is an unique mechanism of magnetic frustration, not emphasized so far in any of the ternary $R_2TX_3$ ($\textit{R}$ = rare earth, $\textit{T}$ = transition elements, and $\textit{X}$ = Si, Ge, In) type compounds. Due to the competing character of the itinerant 3$\textit{d}$ and localized 4$\textit{f}$ moments, the compound exhibits anomalous field dependence of magnetic coercivity. Further, the system also exhibits a considerable magnetic entropy change of –Δ$S_M$ ~ 13.3 J/kg K with a relative cooling power (RCP) of 220 J/kg and adiabatic temperature change $ΔT_{\text{ad}}$ of 6 K for magnetic field change of 70 kOe.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Ground-state degeneracy and complex magnetism of geometrically frustrated Gd 2 Ir 0.97 Si 2.97

We report a new triangular-lattice intermetallic compound Gd 2 Ir 0.97 Si 2.97 was successfully synthesized as single phase by deliberately introducing vacancies. Theoretical analysis suggests that the ground state is competing with several low-energy spin configurations due to magnetic frustration on a nearly ideal triangular lattice. Despite a number of competing magnetic states, the compound exhibits long-range antiferromagnetic order at16K, a long-range ferrimagnetic transition at 6.5 K, and a reentrant cluster-glass transition below T f ~ 3K. The complex magnetism in the compound could be correlated with competing antiferromagnetic and ferrimagnetic structures predicted theoretically.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Coexisting structural disorder and robust spin-polarization in half-metallic FeMnVAl

We report half-metallic ferromagnets (HMFs) are one of the most promising materials in the field of spintronics due to their unique band structure, consisting of one spin subband having metallic characteristics along with another subband with semiconductor-like behavior. In this work, we report the synthesis of a novel quaternary Heusler alloy—FeMnVAl—and we have studied the structural, magnetic, transport, and electronic properties complemented with first-principles calculations. Among different possible structurally ordered arrangements, the optimal structure is identified by theoretical energy minimization. The corresponding spin-polarized band-structure calculations indicate the presence of a half-metallic ferromagnetic ground state. A detailed and careful investigation of the x-ray diffraction data, Mössbauer spectra, and nuclear magnetic resonance spectra suggests the presence of site disorder between the Fe and Mn atoms in the stable ordered structure of the system. The magnetic susceptibility measurement clearly establishes a ferromagnetic-like transition below ~213 K. The Fe Mössbauer spectrometry measurements suggest that only the Mn spins could be responsible for the magnetic order, which is consistent with our theoretical calculation. Surprisingly, the density-functional-theory calculations reveal that the spin-polarization value is almost immunized (92.4% → 90.4%) from the Mn-Fe structural disorder, even when nonmagnetic Fe and moment-carrying Mn sites are entangled inseparably. The robustness of spin polarization and half-metallicity in the studied FeMnVAl compound comprising structural disorder is thus quite interesting and could provide a new direction to investigate and understand the exact role of disorders on spin polarization in this class of materials, beyond the available knowledge.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗