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Pinaki Das

Publications and source records attributed to Pinaki Das.

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Spin dynamics in itinerant antiferromagnet SrCr$_2$As$_2$

SrCr$_2$As$_2$ is an itinerant antiferromagnet in the same structural family as the SrFe$_2$As$_2$ high-temperature superconductors. We report our calculations of exchange-coupling parameters $J_{ij}$ for SrCr$_2$As$_2$ using a static linear-response method based on first-principles electronic-structure calculations. We find that the dominant nearest-neighbor exchange coupling $J_{\rm{1}} > 0$ is antiferromagnetic whereas the next-nearest-neighbor interaction $J_{\rm{2}} < 0$ is ferromagnetic with $J_{\rm{2}}$/$J_{\rm{1}}$~=~$-0.68$, reinforcing the checkerboard in-plane magnetic structure. Thus, unlike other transition-metal arsenides based on Mn, Fe, or Co, we find no competing magnetic interactions in SrCr$_2$As$_2$, which aligns with experimental findings. Moreover, the orbital resolution of exchange interactions shows that $J_1$ and $J_2$ are dominated by direct exchange mediated by the Cr $d$ orbitals. To validate the calculations we conduct inelastic neutron-scattering measurements on powder samples that show steeply dispersive magnetic excitations arising from the magnetic $\Gamma$ points and persisting up to energies of at least 175 meV. The spin-wave spectra are then modeled using the Heisenberg Hamiltonian with the theoretically-calculated exchange couplings. The calculated neutron-scattering spectra are in good agreement with the experimental data.

cond-mat.supr-con

Coexisting Kondo hybridization and itinerant f-electron ferromagnetism in UGe2

Kondo hybridization in partially filled f-electron systems conveys significant amount of electronic states sharply near the Fermi energy leading to various instabilities from superconductivity to exotic electronic orders. UGe2 is a 5f heavy fermion system, where the Kondo hybridization is interrupted by the formation of two ferromagnetic phases below a 2nd order transition Tc ~ 52 K and a crossover transition Tx ~ 32 K. These two ferromagnetic phases are concomitantly related to a spin-triplet superconductivity that only emerges and persists inside the magnetically ordered phase at high pressure. The origin of the two ferromagnetic phases and how they form within a Kondo-lattice remain ambiguous. Using scanning tunneling microscopy and spectroscopy, we probe the spatial electronic states in the UGe2 as a function of temperature. We find a Kondo resonance and sharp 5f-electron states near the chemical potential that form at high temperatures above Tc in accordance with our density functional theory (DFT) + Gutzwiller calculations. As temperature is lowered below Tc, the resonance narrows and eventually splits below Tx dumping itinerant f-electron spectral weight right at the Fermi energy. Our findings suggest a Stoner mechanism forming the highly polarized ferromagnetic phase below Tx that itself sets the stage for the emergence of unconventional superconductivity at high pressure.

cond-mat.str-el

Localized-delocalized crossover of spin-carriers and magnetization reversal in Co$_{2}$VO$_{4}$

Neutron diffraction, magnetization and muon spin relaxation measurements, supplemented by density functional theory (DFT) calculations are employed to unravel temperature-driven magnetization reversal (MR) in inverse spinel Co$_2$VO$_4$. All measurements show a second-order magnetic phase transition at $T_{\rm C} = 168$\,K to a collinear ferrimagnetic phase. The DFT results suggest the moments in the ferrimagnetic phase are delocalized and undergo gradual localization as the temperature is lowered below $T_{\rm C}$. The delocalized-localized crossover gives rise to a maximum magnetization at $T_{\rm NC} = 138$\,K and the continuous decrease in magnetization produces sign-change at $T_{\rm MR} \sim 65$\,K. Muon spectroscopy results support the DFT, as a strong $T_1$-relaxation is observed around $T_{\rm NC}$, indicating highly delocalized spin-carriers gradually tend to localization upon cooling. The magnetization reversal determined at zero field is found to be highly sensitive to the applied magnetic field, such that above $B\sim 0.25$\,T instead of a reversal a broad minimum in the magnetization is apparent at $T_{\rm MR}$. Analysis of the neutron diffraction measurements shows two antiparallel magnetic sub-lattice-structure, each belonging to magnetic ions on two distinct crystal lattice sites. The relative balance of these two structural components in essence determines the magnetization. Indeed, the order parameter of the magnetic phase on one site develops moderately more than that on the other site. Unusual tipping of the magnetic balance, caused by such site-specific magnetic fluctuation, gives rise to a spontaneous flipping of the magnetization as the temperature is lowered.

cond-mat.str-el

Detonation-induced transformation of graphite to hexagonal diamond

We explore the structural evolution of highly oriented pyrolytic graphite (HOPG) under detonation-induced shock conditions using in-situ synchrotron X-ray diffraction in the ns time scale. We observe the formation of hexagonal diamond (lonsdaleite) at pressures above 50 GPa, in qualitative agreement with recent gas gun experiments. First-principles density functional calculations reveal that under uniaxial compression the energy barrier for the transition towards hexagonal diamond is lower than cubic diamond. Finally, no indication of cubic diamond formation was observed up to >70 GPa.

cond-mat.mtrl-sci

Spin Dynamics in the Antiferromagnetic Oxypnictides and Fluoropnictides: LaMnAsO, LaMnSbO, and BaMnAsF

Inelastic neutron scattering (INS) from polycrystalline antiferromagnetic LaMnAsO, LaMnSbO, and BaMnAsF are analyzed using a $J_1-J_2-J_c$ Heisenberg model in the framework of the linear spin-wave theory. All three systems show clear evidence that the nearest- and next-nearest-neighbor interactions within the Mn square lattice layer ($J_1$ and $J_2$) are both antiferromagnetic (AFM). However, for all compounds studied the competing interactions have a ratio of $2J_2/J_1 < 1$, which favors the square lattice checkerboard AFM structure over the stripe AFM structure. The inter-plane coupling $J_c$ in all three systems is on the order of $\sim 3\times10^{-4}J_1$, rendering the magnetic properties of these systems with quasi-two-dimensional character. The substitution of Sb for As significantly lowers the in-plane exchange coupling, which is also reflected in the decrease of the N{\'e}el temperature, $T_{\rm N}$. Although BaMnAsF shares the MnAs sheets as LaMnAsO, their $J_1$ and $J_2$ values are substantially different. Using density functional theory, we calculate exchange parameters $J_{ij}$ to rationalize the differences among these systems.

cond-mat.str-el

Distinct pressure evolution of coupled nematic and magnetic order in FeSe

FeSe, despite being the structurally simplest compound in the family of iron-based superconductors, shows an astoundingly rich interplay of physical phenomena including nematicity and pressure-induced magnetism. Here, we present a microscopic study of these two phenomena by high-energy x-ray diffraction and time-domain M\"ossbauer spectroscopy on FeSe single crystals over a wide temperature and pressure range. The topology of the pressure-temperature phase diagram is a surprisingly close parallel to the well-known doping-temperature phase diagram of BaFe2As2 generated through partial Fe/Co and Ba/Na substitution. In FeSe with pressure p as a control parameter, the magneto-structural ground state can be tuned from "pure" nematic - paramagnetic with an orthorhombic lattice distortion - through a strongly coupled magnetically ordered and orthorhombic state to a magnetically ordered state without an orthorhombic lattice distortion. The magnetic hyperfine field increases monotonically over a wide pressure range. However, the orthorhombic distortion initially decreases under increasing pressure, but is stabilized by cooperative coupling to the pressure-induced magnetic order. Close to the reported maximum of the superconducting critical temperature Tc (occuring at p = 6.8 GPa), the orthorhombic distortion suddenly disappears and FeSe remains tetragonal down to the lowest temperature measured. Analysis of the structural and magnetic order parameters suggests an independent origin of the structural and magnetic ordering phenomena, and their cooperative coupling leads to the similarity with the canonical phase diagram of iron pnictides.

cond-mat.supr-con

Ultra-High Resolution Neutron Spectroscopy of Low-Energy Spin Dynamics in UGe$_2$

Studying the prototypical ferromagnetic superconductor UGe$_2$ we demonstrate the potential of the Modulated IntEnsity by Zero Effort (MIEZE) technique---a novel neutron spectroscopy method with ultra-high energy resolution of at least 1~$\mu$eV---for the study of quantum matter. We reveal purely longitudinal spin fluctuations in UGe$_2$ with a dual nature arising from $5f$ electrons that are hybridized with the conduction electrons. Local spin fluctuations are perfectly described by the Ising universality class in three dimensions, whereas itinerant spin fluctuations occur over length scales comparable to the superconducting coherence length, showing that MIEZE is able to spectroscopically disentangle the complex low-energy behavior characteristic of quantum materials.

cond-mat.str-el

Tunable Emergent Heterostructures in a Prototypical Correlated Metal

At the interface between two distinct materials desirable properties, such as superconductivity, can be greatly enhanced, or entirely new functionalities may emerge. Similar to in artificially engineered heterostructures, clean functional interfaces alternatively exist in electronically textured bulk materials. Electronic textures emerge spontaneously due to competing atomic-scale interactions, the control of which, would enable a top-down approach for designing tunable intrinsic heterostructures. This is particularly attractive for correlated electron materials, where spontaneous heterostructures strongly affect the interplay between charge and spin degrees of freedom. Here we report high-resolution neutron spectroscopy on the prototypical strongly-correlated metal CeRhIn5, revealing competition between magnetic frustration and easy-axis anisotropy -- a well-established mechanism for generating spontaneous superstructures. Because the observed easy-axis anisotropy is field-induced and anomalously large, it can be controlled efficiently with small magnetic fields. The resulting field-controlled magnetic superstructure is closely tied to the formation of superconducting and electronic nematic textures in CeRhIn5, suggesting that in-situ tunable heterostructures can be realized in correlated electron materials.

cond-mat.str-el

Itinerant G-type antiferromagnetic order in SrCr$_2$As$_2$

Neutron diffraction and magnetic susceptibility studies of a polycrystalline SrCr$_2$As$_2$ sample reveal that this compound is an itinerant G-type antiferromagnet below the N${\rm \acute{e}}$el temperature $T_{\textrm N}$ = 590(5) K with the Cr magnetic moments aligned along the tetragonal $c$ axis. The system remains tetragonal to the lowest measured temperature ($\sim$12 K). The lattice parameter ratio $c/a$ and the magnetic moment saturate at about the same temperature below $\sim$ 200 K, indicating a possible magnetoelastic coupling. The ordered moment, $\mu=1.9(1)~\mu_{\rm B}$/Cr, measured at $T = 12$ K, is significantly reduced compared to its localized value ($4~\mu_{\rm B}$/Cr) due to the itinerant character brought about by the hybridization between the Cr $3d$ and As $4p$ orbitals.

cond-mat.str-el

Collinear antiferromagnetism in trigonal SrMn$_{2}$As$_{2}$ revealed by single-crystal neutron diffraction

Fe pnictides and related materials have been a topic of intense research for understanding the complex interplay between magnetism and superconductivity. Here we report on the magnetic structure of SrMn$_{2}$As$_{2}$ that crystallizes in a trigonal structure ($P\bar{3}m1$) and undergoes an antiferromagnetic (AFM) transition at $T_{\textrm c}$ $= 118(2)$ K. The magnetic susceptibility remains nearly constant at temperatures $T \le T_{\textrm N}$ with $\textbf{H}\parallel \textbf{c}$ whereas it decreases significantly with $\textbf{H}\parallel \textbf{ab}$. This shows that the ordered Mn moments lie in the $\textbf{ab}$-plane instead of aligning along the $\textbf{c}$-axis as in tetragonal BaMn$_{2}$As$_{2}$. Single-crystal neutron diffraction measurements on SrMn$_{2}$As$_{2}$ demonstrate that the Mn moments are ordered in a collinear N\'{e}el AFM phase with $180^\circ$ AFM alignment between a moment and all nearest neighbor moments in the basal plane and also perpendicular to it. Moreover, quasi-two-dimensional AFM order is manifested in SrMn$_{2}$As$_{2}$ as evident from the temperature dependence of the order parameter.

cond-mat.str-el

The Valence-Fluctuating Ground State of Plutonium

A central issue in material science is to obtain understanding of the electronic correlations that control complex materials. Such electronic correlations frequently arise due to the competition of localized and itinerant electronic degrees of freedom. While the respective limits of well-localized or entirely itinerant ground states are well-understood, the intermediate regime that controls the functional properties of complex materials continues to challenge theoretical understanding. We have used neutron spectroscopy to investigate plutonium, which is a prototypical material at the brink between bonding and non-bonding configurations. Our study reveals that the ground state of plutonium is governed by valence fluctuations, that is, a quantum-mechanical superposition of localized and itinerant electronic configurations as recently predicted by dynamical mean field theory. Our results not only resolve the long-standing controversy between experiment and theory on plutonium's magnetism, but also suggest an improved understanding of the effects of such electronic dichotomy in complex materials.

cond-mat.str-el

Chemical pressure tuning of URu$_2$Si$_2$ via isoelectronic substitution of Ru with Fe

We have used specific heat and neutron diffraction measurements on single crystals of URu$_{2-x}$Fe$_x$Si$_2$ for Fe concentrations $x$ $\leq$ 0.7 to establish that chemical substitution of Ru with Fe acts as "chemical pressure" $P_{ch}$ as previously proposed by Kanchanavatee et al. [Phys. Rev. B {\bf 84}, 245122 (2011)] based on bulk measurements on polycrystalline samples. Notably, neutron diffraction reveals a sharp increase of the uranium magnetic moment at $x=0.1$, reminiscent of the behavior at the "hidden order" (HO) to large moment antiferromagnetic (LMAFM) phase transition observed at a pressure $P_x\approx$ 0.5-0.7~GPa in URu$_2$Si$_2$. Using the unit cell volume determined from our measurements and an isothermal compressibility $\kappa_{T} = 5.2 \times 10^{-3}$ GPa$^{-1}$ for URu$_2$Si$_2$, we determine the chemical pressure $P_{ch}$ in URu$_{2-x}$Fe$_x$Si$_2$ as a function of $x$. The resulting temperature $T$-chemical pressure $P_{ch}$ phase diagram for URu$_{2-x}$Fe$_x$Si$_2$ is in agreement with the established temperature $T$-external pressure $P$ phase diagram of URu$_2$Si$_2$.

cond-mat.str-el

The magnitude of the magnetic exchange interaction in the heavy fermion antiferromagnet CeRhIn$_5$

We have used high-resolution neutron spectroscopy experiments to determine the complete spin wave spectrum of the heavy fermion antiferromagnet CeRhIn$_5$. The spin wave dispersion can be quantitatively reproduced with a simple $J_1$-$J_2$ model that also naturally explains the magnetic spin-spiral ground state of CeRhIn$_5$ and yields a dominant in-plane nearest-neighbor magnetic exchange constant $J_0$ = 0.74 meV. Our results pave the way to a quantitative understanding of the rich low-temperature phase diagram of the prominent Ce$T$In$_5$ ($T$ = Co, Rh, Ir) class of heavy fermion materials.

cond-mat.str-el

A Framework for Assessing Universal Service Obligations: A Developing Country Perspective

A critical element of most national telecom policy objectives is advancing universal service. In a multi-operator context, this is usually operationalized through Universal Service Obligations (USO), by which various operators are mandated to provide a part of their services to rural areas or to high cost to serve customers at "affordable" prices. This paper highlights the various issues in USO from a developing country perspective. The first part of this paper gives an overview of USO practices and issues. The second part reviews the Telecom Regulatory Authority of India's recommendations on USO cost estimation. In the third part, the paper analyzes characteristics of rural exchanges with a view to evolve a framework for assessing USO. This framework is applicable to developing countries as the study carried out in this paper is in the context of a developing country characterized by low telecom penetration and non-availability of data with regulators.

cs.CY