SearcharxivSearch

arXiv subjects

S. K. Panda

Publications and source records attributed to S. K. Panda.

At least 19 recordsLinked to original sources

Spin-orbit-entangled frustrated magnetism in fcc Ba$_2$(Yb,Nd)NbO$_6$ double perovskites

The search for candidate Kitaev materials has largely focused on 4$d$ and 5$d$ transition-metal compounds with various lattice geometries. In contrast, investigations of rare-earth 4$f$ systems have thus far been restricted mainly to honeycomb and triangular lattices. In this work, we investigate the rare-earth-based double perovskites Ba$_2$YbNbO$_6$ and Ba$_2$NdNbO$_6$, which crystallize in a face-centered cubic structure. Magnetization and heat-capacity measurements establish isolated ${j_{\rm eff}} = 1/2$ Kramers doublet ground states arising from strong spin-orbit coupling (SOC) and crystal electric-field effects, which are further supported by density-functional theory calculations. Millikelvin-temperature thermodynamic measurements reveal long-range magnetic order with moderate frustration in both compounds. The emergence of magnetic order may be understood within an order-by-disorder scenario, as theoretically proposed for rare-earth fcc lattices with finite Kitaev interactions. Our results thus identify Ba$_2$YbNbO$_6$ and Ba$_2$NdNbO$_6$ as promising rare-earth spin-orbit-entangled magnets and motivate further experimental and theoretical investigations aimed at determining the complete exchange tensor to elucidate the microscopic origin of the underlying magnetic interactions.

cond-mat.str-el

Quasi-Two-Dimensional Quantum Antiferromagnetism in the Distorted Honeycomb Compound KCuIn(PO4)2

We investigate the electronic structure and magnetic properties of the distorted honeycomb lattice compound KCuInP2O8 through a combination of experimental measurements, first principles calculations and quantum monte carlo simulations. Density functional theory calculations within the GGA+U framework establishes KCuInP2O8 as an indirect gap insulator with Cu2+ local moments and finite magnetocrystalline anisotropy arising from spin orbit coupling. A microscopic evaluation of magnetic exchange interactions using the magnetic force theorem reveals a pronounced hierarchy of couplings, with the next nearest neighbor interaction dominating over the nearest neighbor exchange, while interlayer couplings remain negligible. This exchange hierarchy naturally maps the system onto weakly coupled antiferromagnetic spin chains embedded in a distorted honeycomb lattice. Motivated by the ab initio estimated exchange interactions, we construct an effective spin half Hamiltonian and investigate its magnetic response using large scale quantum Monte Carlo simulations. The calculated temperature dependent susceptibility and field dependent magnetization quantitatively reproduce the experimental behavior and capture key signatures of low dimensional quantum magnetism, including a broad susceptibility maximum and a field induced saturation at low temperatures. Our results establish KCuInP2O8 as a quasi-two-dimensional quantum antiferromagnet composed of coupled spin chains, providing a consistent theoretical framework that links electronic structure, exchange interactions, and collective magnetic behavior.

cond-mat.str-el

Cocktail effect and robust Berry curvature driven anomalous Hall conductivity in the entropy-stabilized Heusler alloy Co$_2$(Ti$_{0.25}$V$_{0.25}$Cr$_{0.25}$Fe$_{0.25}$)Al

The interplay between chemical disorder and persistence of Berry curvature driven transport phenomena remains an important open question in entropy-stabilized systems. Here, we synthesize an entropy-stabilized Heusler alloy Co$_2$(Ti$_{0.25}$V$_{0.25}$Cr$_{0.25}$Fe$_{0.25}$)Al and systematically investigate its structural, magnetic, and magnetotransport properties using a combination of experimental measurements and density functional theory (DFT) calculations. The system crystallizes in cubic space group $Fm\Bar{3}m$ and exhibits ferromagnetism with saturation magnetization in close agreement with the Slater--Pauling prediction. Transport and magnetotransport measurements reveal metallic behavior and a pronounced anomalous Hall effect with an anomalous Hall conductivity of approximately $134.4~ \Omega^{-1}$.cm$^{-1}$. Combined experimental observations and first-principles calculations establish that the anomalous Hall effect is predominantly intrinsic in origin and originates from the Berry curvature of the electronic bands. Remarkably, despite the substantial configurational disorder and the dilution of the constituent parent compounds, the anomalous Hall conductivity remains comparable to the largest values reported in the corresponding parent Heusler systems. This behavior reflects the manifestation of the cocktail effect, one of the core characteristics of entropy-stabilized systems. Our results also demonstrate that Berry curvature mediated transport persists in this chemically disordered system and indicates that entropy engineering can be a promising route for tuning intrinsic anomalous Hall responses.

cond-mat.mtrl-sci

Structural and magnetic phases of topological kagome metal Fe$_3$Sn$_2$ under pressure

We investigate the pressure-induced evolution of crystal structure and magnetism in the kagome ferromagnet Fe$_3$Sn$_2$ by combining X-ray diffraction, X-ray Emission Spectroscopy, X-ray Magnetic Circular Dichroism, and spin-polarized density functional theory calculations. X-ray diffraction reveals a structural phase transition above $\sim$20~GPa, which coincides with a pronounced reduction of the local Fe magnetic moment evidenced by X-ray emission spectroscopy, indicating a high-spin to low-spin transition. While XES probes the amplitude of the local moment, XMCD provides direct information on the orientation of the ordered magnetic moments and uncovers a rich pressure--temperature magnetic phase diagram. At room temperature, a collinear ferromagnetic phase with moments aligned along the $c$ axis persists up to the structural transition. At low temperature, a tilted magnetic configuration remains stable to significantly higher pressures, while at intermediate temperatures pressure stabilizes the low-temperature magnetic phase at the expense of the high-temperature one. Spin-polarized first-principles calculations show that, although isotropic ferromagnetic exchange interactions remain robust under compression, pressure enhances spin--orbit--driven magnetic anisotropy and Dzyaloshinskii--Moriya interactions, favoring non-collinear magnetic configurations. Our results demonstrate that pressure reshapes the magnetic energy landscape of Fe$_3$Sn$_2$ by coupling lattice, spin state, and relativistic magnetic interactions, establishing hydrostatic pressure as an effective control parameter to engineer magnetic anisotropy and potentially topological phases in kagome materials.

cond-mat.str-el

Frustration-driven unconventional magnetism in the Mn$^{2+}$ ($S=\frac{5}{2}$) based two-dimensional triangular-lattice antiferromagnet Ba$_{3}$MnTa$_{2}$O$_{9}$

A triple perovskite oxide Ba$_{3}$MnTa$_{2}$O$_{9}$ has been synthesized and its magnetic properties have been investigated through dc and ac magnetization, specific heat, electron spin resonance (ESR) measurements, and density functional theory (DFT) calculations. Mn$^{2+}$ ($S$ = 5/2) ions are the only magnetic species present in the material. These Mn$^{2+}$ ions constitute a quasi-two-dimensional triangular network in the crystallographic $ab$-plane. Magnetization and specific heat measurements reveal the absence of any long-range magnetic order down to 0.5\,K despite the presence of antiferromagnetic correlations between the magnetic ions, suggesting the presence of geometric frustration in the material. The entropy release is lower than the expected theoretical value of $Rln(6)$, further suggesting the presence of frustration. First-principles calculations using density functional theory (DFT) and atomistic spin dynamics (ASD) simulations further support this lack of static magnetic order even at low temperatures and identify the competing magnetic interactions along with the quasi-2D magnetic dimensionality as the underlying origin of such an unconventional magnetic behavior.

cond-mat.str-el

Multiband Superconductivity and High Critical Current Density in Entropy Stabilized Nb0.25Ta0.25Ti0.25Zr0.25

High and medium-entropy superconductors with significant intrinsic disorder are a fascinating class of superconductors. Their combination of robust structural integrity, superior mechanical properties, and exceptional irradiation tolerance makes them promising candidates for use in advanced superconducting technologies. Herein, we present a comprehensive theoretical and experimental investigation on the superconductivity of equiatomic entropy-stabilized Nb0.25Ta0.25Ti0.25Zr0.25. The material shows bulk superconductivity (transition temperature = 8K) with a high upper critical field of 11.94T. Interestingly, both the electronic band structure and specific heat data point toward unconventional multiband superconductivity. Our ab initio calculations reveal Dirac-like band crossings close to the Fermi level, with certain degeneracies persisting even in the presence of spin-orbit coupling, suggesting a possible interplay between topological electronic states and the observed unconventional superconductivity. Remarkably, the critical current density exceeds the benchmark of 10^5 A/cm2, surpassing all previously reported as-cast entropy-stabilized superconductors. This high critical current density is likely attributed to strong flux pinning at the grain boundaries, facilitated by extreme intrinsic lattice distortion. Taken together, the demonstrated dynamical stability, excellent metallicity, potential to host unconventional superconductivity, and exceptionally high critical current density highlight the potential of entropy-stabilized alloys as a platform for exploring the confluence of disorder, topology, and unconventional superconductivity.

cond-mat.supr-con

Neel order, spin-spiral, and spin liquid ground state in frustrated three dimensional system CaMn2P2: A DFT+U and spin dynamics study

We investigate the magnetic ground state and phase transitions in the frustrated three-dimensional system CaMn2P2 using first-principles calculations combined with spin-dynamics simulations. Our DFT+U calculations reveal that CaMn2P2 exhibits an indirect gap semiconducting ground state with a localized Mn2+ electronic configuration and negligible spin-orbit coupling effects. The computed exchange interactions show that the magnetic behavior is well described by a isotropic Heisenberg Hamiltonian. In this model, there are two major couplings: the NN interaction J1 couples the two Mn layers along the c-axis and next NN J2 is in the a-b plane where Mn ions form a hexagonal layer structure. Our results show that both J1 and J2 are antiferromagnetic in nature and as a consequence J2 induce frustration owing to the in-plane triangular geometry of the Mn-ions. The J1 is found to promote long-range antiferromagnetic order, while the J2 is responsible for spin canting and disorder. Our spin-wave analysis confirms that the system stabilizes a spin-spiral ground state with a propagation vector q = (1/6 , 1/6, 0) in agreement with neutron diffraction experiments. By tuning the J2/J1 ratio, we construct a phase diagram that reveals a transition from a collinear Neel antiferromagnetic state to different spin-spiral phases, and eventually to a disordered phase at large frustration. Atomistic spin-dynamics simulations capture the temperature evolution of the magnetism and reproduce the experimentally measured magnetic data with good accuracy. Furthermore, for large J2/J1, we identify a low temperature phase with slow spin relaxation and persistent fluctuations, suggesting a spin-liquid like state. Our study provides an understanding of frustration induced magnetism in CaMn2P2 and establishes it as a realization of J1-J2 model in three-dimensional lattice for exploring emergent magnetic phases.

cond-mat.str-el

Coexistence of static and dynamic local magnetic fields in an S = 3/2 honeycomb lattice antiferromagnet Co2Te3O8

Two-dimensional honeycomb lattices, characterized by their low coordination numbers, provide a fertile platform for exploring various quantum phenomena due to the intricate interplay between competing magnetic interactions, spin-orbit coupling, and crystal electric fields. Beyond the widely studied Jeff= 1/2 honeycomb systems, S = 3/2 honeycomb lattices present a promising alternative route to realizing the classical spin liquid-like state within the spin-S Kitaev models. Herein, we present crystal structure, thermodynamic, neutron diffraction and muon spin relaxation (muSR) measurements, complemented by density functional theory (DFT) calculations on an unexplored 3d transition metal based compound Co2Te3O8, where Co2+ (S = 3/2) ions form a distorted honeycomb lattice in the crystallographic bc-plane without any anti-side disorder between constituent atoms. A clear lambda type anomaly around 55 K in both magnetic susceptibility and specific heat data indicates the onset of a long-range ordered state below TN= 55 K. The dominant antiferromagnetic interaction between S = 3/2 moments is evidenced by a relatively large negative Curie-Weiss temperature of -103 K derived from magnetic susceptibility data and supported by DFT calculations. The signature of long-range antiferomagnetic order state in the thermodynamic data is corroborated by neutron diffraction and muSR results. Furthermore, muSR experiments reveal the coexistence of static and dynamic local magnetic fields below TN, along with a complex magnetic structure that can be associated with XY-like antiferromagnet, as confirmed by neutron diffraction experiments.

cond-mat.str-el

Deformation and differential rotation in slowly rotating young intermediate-mass stars

Asteroseismology, the study of stellar vibrations, is a method which can probe the structure deformation and internal rotation of stars. Salient among the seismic inferences of rotation from TESS observations are TIC 408165734, whose equatorial rotation rate is 10\% faster than the pole, and TIC 307930890, which has significant radial shear and shows a decreasing spin rate outward through its envelope. We also measure structural deformation in fifteen stars, nine of which are oblate, a finding consistent with expectations for relatively fast-rotating, non-magnetic stars. The difference between polar and equatorial radii in TIC 47639058 is 130 times larger than that for the Sun. The remaining six stars display splittings consistent with a prolate shape (surprisingly), possibly indicating the presence of equatorial toroidal magnetic fields. These inferences provide constraints for numerical simulations and new insights to guide theories of $\delta$ Scuti structure and rotation.

astro-ph.SR

Seismic constraints on the spin evolution of slowly rotating young intermediate-mass stars

$\delta$ Scuti stars are hot, rapid rotators and are a poorly understood class of pulsators. Asteroseismology provides the only means with which to probe their interior dynamics. However, their complex and unexplained oscillation patterns restrict analyses to only a small fraction with interpretable pulsations. Here, we identify 5381 $\delta$ Scuti stars from 63 sectors of TESS observations, of which 300 had interpretable oscillations, with 24 showing rotational splittings. We inferred compositions and ages ($\tau$) for the 300 stars finding them in near-ZAMS states (Bedding et al. 2020), and measured the mean envelope rotation rates ($< f_{rot} >$) for 24 of them. Analyzing their age-dependent rotation, we found these stars essentially exhibit weak-to-no spindown, while evolving past the ZAMS across a narrow time-span during which they show regular pulsations. A quantitative fit to their spin-evolution results in a trend $f_{rot} (d^{-1}) \propto (\tau/{Gyr})^{-0.048 \pm 0.016}$, much slower than the spindown of cooler late-type stars due to magnetic braking (Skumanich's law: $f_{rot} (d^{-1}) \propto (\tau/{Gyr})^{-0.5}$). Based on stellar evolution calculations, we show this weak spindown is consistent with the gradual increase in their moment-of-inertia.

astro-ph.SR

Normal state and superconducting state properties of high entropy Ta0.2Nb0.2V0.2Ti0.2X0.2 (X = Zr and Hf )

High entropy alloy superconductors represent a unique blend of advanced material systems and quantum physics, offering significant potential for advancing superconducting technologies. In this study, we report a detailed theoretical and experimental investigation of high entropy alloy superconductors Ta0.2Nb0.2V0.2Ti0.2X0.2 (X = Zr and Hf). Our study unveils that both the materials crystallize in a body-centered cubic structure (space group: I m -3 m) and exhibit bulk superconductivity with a superconducting onset temperature of (Tonset C ) of 5 K for X = Hf and 6.19 K for X = Zr sample. Our detailed analysis, including magnetization, resistivity, heat capacity measurements, and density functional theory (DFT) calculations indicates moderately coupled isotropic s-wave superconductivity in these materials. Our DFT results find significant spectral weight at the Fermi energy and phonon spectra is free of imaginary modes, confirming the dynamical stability and metallic nature of these alloys. Remarkably, we have observed a high upper critical field (HC2(0)) surpassing the Pauli paramagnetic limit for the X = Hf sample and explained it on the basis of the increased spin-orbit coupling in the structure. Ta0.2Nb0.2V0.2Ti0.2Zr0.2, on the other hand, shows a conventional HC2 behaviour. With the dynamical stability of these alloys, excellent normal state metallic nature, high micro-hardness, and high upper critical field, these samples emerge as potential candidates for future applications in superconducting devices.

cond-mat.supr-con

Charge-state dependent spin-orbit coupling and quantum phase transitions in Ir-Ru oxides

The competition between kinematic, relativistic and Coulombic interactions in iridium-based oxides has spurred intense experimental and theoretical investigations regarding the electronic structure and magnetism. We argue here that the Iridium-Ruthenium triple perovskites, Ba$_3$MRuIrO$_9$ (M = Li, Mg and In), are of particular interest in this regard. We show here, using ab-initio theory, that the nominal charge states of Ir can be tuned from +6 to +4 by choosing non-magnetic 'M' ions as Li (+1), Mg(+2) and In (+3). This variation modulates the influence of the spin-orbit coupling (SOC) which is found here to be negligible in Ba$_3$LiRuIrO$_9$, moderate in Ba$_3$MgRuIrO$_9$ and determining in Ba$_3$InRuIrO$_9$. Our analysis classifies Ba$_3$LiRuIrO$_9$ as a band-insulator, Ba$_3$MgRuIrO$_9$ as a SOC and correlation driven insulator and Ba$_3$InRuIrO$_9$ as $J_{\rm eff} = 1/2$ Mott-Hubbard insulator. As reported here, correlated electronic structure theory results in sizeable magnetic moments of both Ru and Ir atoms in these systems and atomistic spin-dynamics simulations capture the experimental N\'eel temperature for Ba$_3$LiRuIrO$_9$ and Ba$_3$MgRuIrO$_9$ and provide evidence for a phase transition for Ba$_3$InRuIrO$_9$ when T $\to$ 0 K, to a multi-valley magnetic state with strong magnetic frustration. The theory identifies the presence of Kitaev interaction among the iridium atoms in Ba$_3$InRuIrO$_9$. The realization of such strong anisotropic interactions helps to stabilize a particularly complex energy landscape of Ba$_3$InRuIrO$_9$, that opens up for exotic magnetic quantum phases.

cond-mat.str-el

Spin-liquid-like spin dynamics in the frustrated antiferromagnet TbBO3

The synergistic interplay between spin correlations, spin-orbit coupling, and competing exchange interactions provides a promising route to realize exotic quantum states with nontrivial excitations in rare-earth based frustrated magnets. Here, by using thermodynamic and local-probe measurements down to 16 mK, we demonstrate the exotic magnetism and spin dynamics in the distorted triangular lattice TbBO3. Thermodynamic experiments reveal the presence of dominant antiferromagnetic exchange and subdominant dipolar interactions. Despite sizable antiferromagnetic exchange interactions between the Tb3+ moments, muon-spin relaxation experiment does not detect any signatures of long-range magnetic order or spin-freezing down to 16 mK, corroborating the specific heat and ac magnetic susceptibility down to 45 mK that suggests a persistent spin dynamics in this frustrated triangular lattice. The scaling of muon relaxation rate as a function of the characteristic energy scale for several spin-liquid candidates, including TbBO3, demonstrates that a common underlying mechanism is at play. The persistent dynamics in this frustrated triangular lattice antiferromagnet is reminiscent of a universal spin-liquid-like spin fluctuations, here attributed to dominant two dimensional (2D) antiferromagnetic short-range spin correlations, confirmed by the presence of a broad magnetic diffuse scattering in the elastic and low-energy inelastic neutron scattering channels at Q ~ 1.03 Ang**$^{-1}$** at low temperatures. Our results demonstrate that non-Kramers ion based triangular lattice hosts spin-liquid-like dynamics of local moments arising from the admixture of excited crystal electric field states into the ground state and intertwining of frustration and spin-orbit interaction.

cond-mat.str-el

Strain induced electronic and magnetic transition in S = 3/2 antiferromagnetic spin chain compound LaCrS3

Exploring the physics of low-dimensional spin systems and their pressure-driven electronic and magnetic transitions are thriving research field in modern condensed matter physics. In this context, recently antiferromagnetic Cr-based compounds such as CrI3, CrBr3, CrGeTe3 have been investigated experimentally and theoretically for their possible spintronics applications. Motivated by the fundamental and industrial importance of these materials, we theoretically studied the electronic and magnetic properties of a relatively less explored Cr-based chalcogenide, namely LaCrS3 where 2D layers of magnetic Cr3+ ions form a rectangular lattice. We employed density functional theory + Hubbard U approach in conjunction with constrained random-phase approximation (cRPA) where the later was used to estimate the strength of U. Our findings at ambient pressure show that the system exhibits semiconducting antiferromagnetic ground state with a gap of 0.5 eV and large Cr moments that corresponds to nominal S=3/2 spin-state. The 1st nearest neighbor (NN) interatomic exchange coupling (J1) is found to be strongly antiferromagnetic (AFM), while 2nd NN couplings are relatively weaker ferromagnetic (FM), making this system a candidate for 1D non-frustrated antiferromagnetic spin-chain family of materials. Based on orbital resolved interactions, we demonstrated the reason behind two different types of interactions among 1st and 2nd NN despite their very similar bond lengths. We observe a significant spin-orbit coupling effect, giving rise to a finite magneto crystalline anisotropy, and Dzyaloshinskii-Moriya (DM) interaction. Further, we found that by applying uniaxial tensile strain along crystallographic a and b-axis, LaCrS3 exhibits a magnetic transition to a semi-conducting FM ground state, while compression gives rise to the realization of novel gapless semiconducting antiferromagnetic ground state.

cond-mat.str-el

On the signless Laplacian spectrum of k-uniform hypergraphs

Let $\mathcal{H}$ be a connected $k$-uniform hypergraph on $n$ vertices and $m$ hyperedges. In [A.~Banerjee, On the spectrum of hypergraph, Linear Algebra and its Application, 614(2021), 82--110], Anirban Banerjee introduced a new adjacency matrix for hypergraphs. In this article we consider the corresponding signless Laplacian matrix $Q(\mathcal{H})$ and discuss about its spectrum.

math.CO

Magnetotransport Properties and Fermi Surface Topology of Nodal line Semimetal InBi

In the present study, we have discussed the up-turn behavior in the resistivity pattern of the topological nodal line semimetal InBi. We argued that such nature could be generalized with a mathematical model, that can be applied to any compounds exhibiting similar behavior. The extremely high magnetoresistance (XMR) has also been explained by the carrier compensation in the compound, estimated from the Hall conductivity. Moreover, from the study of Subhnikov-de Haas (SdH) oscillation and density functional theory (DFT), we obtained the complete three-dimensional (3D) Fermi surface topology of the compound InBi. A detailed understanding of carriers' behavior has been discussed using those studies. We have also unfurled the topology of each electron and hole pocket and its possible modulation with electron and hole doping.

cond-mat.mtrl-sci

The $S=1$ dimer system K$_2$Ni(MoO$_4$)$_2$: a candidate for magnon Bose-Einstein condensation

Dimerized quantum magnets provide a unique possibility to investigate Bose-Einstein condensation of magnetic excitations in crystalline systems at low temperature. Here, we model the low-temperature magnetic properties of the recently synthesized spin $S=1$ dimer system K${}_2$Ni(MoO${}_4$)$_2$ and propose it as a new candidate material for triplon and quintuplon condensation. Based on a first principles analysis of its electronic structure, we derive an effective spin-dimer model that we first solve within a mean-field approximation to refine its parameters in comparison to experiment. Finally, the model is solved by employing a numerically exact quantum Monte Carlo technique which leads to magnetic properties in good agreement with experimental magnetization and thermodynamic results. We discuss the emergent spin model of K${}_2$Ni(MoO${}_4$)$_2$ in view of condensation of magnetic excitations in a broad parameter regime. Finally, we comment on a geometrical peculiarity of the proposed model and discuss how it could host a supersolid phase upon structural distortions.

cond-mat.str-el

Magnetic properties of S = 5/2 anisotropic triangular chain Bi3FeMo2O12

Competing magnetic interactions in low-dimensional quantum magnets can lead to the exotic ground state with fractionalized excitations. Herein, we present our results on an S = 5/2 quasi-one-dimensional spin system Bi3FeMo2O12. The structure of Bi3FeMo2O12 consists of very well separated, infinite zig-zag S = 5/2 spin chains. The observation of a broad maximum around 10 K in the magnetic susceptibility suggests the presence of short-range spin correlations. Magnetic susceptibility data do not fit to S=5/2 uniform spin chain model due to the presence of 2nd nearest-neighbor coupling (J2) along with the 1st nearest-neighbor coupling J1 of the zig-zag chain. The electronic structure calculations infer that the value of J1 is comparable with J2 (J2/J1~1.1) with a negligible inter-chain interaction (J'/J ~ 0.01), implying that Bi3FeMo2O12 is a highly frustrated triangular chain system. The absence of magnetic long-range ordering down to 0.2 K is seen in the heat capacity data, despite a relatively large antiferromagnetic Curie-Weiss temperature of -40 K. The magnetic heat capacity follows nearly a linear behavior at low temperatures indicating that the S = 5/2 anisotropic triangular chain exhibits the gapless excitations.

cond-mat.str-el