arXiv subjects

Sudip Chakraborty

Publications and source records attributed to Sudip Chakraborty.

At least 37 records · Page 2Linked to original sources

arXiv2023

Universality of coronal properties in accreting black holes across mass and accretion rate

Through their radio loudness, lack of thermal UV emission from the accretion disk and power-law dominated spectra, Low Luminosity AGN (LLAGN) display similarity with the hard state of stellar-mass black hole X-Ray Binaries (BHBs). In this work we perform a systematic hard X-ray spectral study of a carefully selected sample of unobscured LLAGN using archival $NuSTAR$ data, to understand the central engine properties in the lower accretion regime. We analyze the $NuSTAR$ spectra of a sample of 16 LLAGN. We model the continuum emission with detailed Comptonization models. We find a strong anti-correlation between the optical depth and the electron temperature of the corona, previously also observed in the brighter Seyferts. This anti-correlation is present irrespective of the shape of the corona, and the slope of this anti-correlation in the log space for LLAGN (0.68-1.06) closely matches that of the higher accretion rate Seyferts (0.55-1.11) and hard state of BHBs ($\sim$0.87). This anti-correlation may indicate a departure from a fixed disk-corona configuration in radiative balance. Our result, therefore, demonstrates a possible universality in Comptonization processes of black hole X-ray sources across multiple orders of magnitude in mass and accretion rate.

astro-ph.HE↗

arXiv2023

Large saturation moment and high ferromagnetic transition temperature in a structurally disordered inverse Heusler alloy Fe2RuGe

We report the successful synthesis of a new 4$d$ based polycrystalline inverse Heusler alloy Fe$_2$RuGe by an arc melting process and have studied in detail its structural, magnetic and transport properties complemented with first principle calculations. X-ray and neutron diffraction, Extended X-ray Absorption Fine Structure and $^{57}$Fe Mössbauer spectroscopic studies confirm the single phase nature of the system where the Fe and Ru atoms are randomly distributed in the 4$c$ and 4$d$ Wyckoff positions in a ratio close to 50:50. The formation of the disordered structure is also confirmed by the theoretical energy minimization calculation. Despite the random cross-site disorder of Fe and Ru atoms, magnetic measurements suggest not only a high Curie temperature of $\sim$860\,K, but also a large saturation magnetic moment $\sim$4.9\,$μ_B$ per formula unit at 5\,K, considerably exceeding the theoretical limit (4\,$μ_B$ per formula unit) predicted by the Slater-Pauling rule. Only a few Fe-based inverse Heusler alloys are known to exhibit such high Curie temperatures. Neutron diffraction analysis coupled with the isothermal magnetization value indicates that the magnetic moments in Fe$_2$RuGe are associated with Fe-atoms only, which is also confirmed by Mössbauer spectrometry. Interestingly, in comparison to the cubic or hexagonal phase of the parent compound, Fe$_3$Ge, the Curie temperature of Fe$_2$RuGe has increased significantly despite the substitution of the nonmagnetic, yet isoelectronic element Ru in this structurally disordered compound. Our theoretical calculation reveals that the large Fe moment ($\sim2.8μ_B$/Fe) on the 4$b$ site can be attributed to a charge transfer from this Fe site towards its Ru neighbours. Such a substantial increase in magnetic moment due to electron charge transfer has not previously been reported in a Heusler alloy system.

cond-mat.mtrl-sci↗

arXiv2023

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 magnetisation, 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. The system also exhibits reentrant canonical spin-glass behaviour, 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.

cond-mat.mtrl-sci↗

arXiv2023

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

The realization of spin-glass (S-G) 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 S-G state, there is hardly any manifestation of the same in cases of quaternary Heusler compounds. Here we report the observation of S-G state in a highly disordered equiatomic quaternary Heusler compound: FeRuMnGa, where the S-G state is in between of canonical S-G and cluster glass. Different intricate features of S-G state including non-equilibrium magnetic dynamics at low temperature in the compound are unveiled through our comprehensive magnetic, heat capacity and neutron diffraction studies. The structural disorder in the sample is neither conventional \textit{A2}- nor \textit{B2}-type while 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 semi-metallic behavior and anomalous Hall effect at low temperature.

cond-mat.mtrl-sci↗

arXiv2023

4d-element induced improvement of structural disorder and development of weakly re-entrant spin-glass behaviour 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 shows that isoelectronic substitution of 4d element in place of 3d element in quaternary Heusler alloy, improves the half-metallic ferromagnetic characteristics, our research 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 (EXAFS) and neutron diffraction (ND) techniques, which confirms the formation of a single-phase compound with 50:50 site disorder between Ni/Ru atoms at 4c/4d sites. Contrary to expectations, our DFT calculations suggests a considerable decrease in spin-polarization even in the ordered structure. Additionally, we report on the compound's exceptional behavior, displaying a rare re-entrant spin glass property below $\sim$60 K, a unique and intriguing feature for quaternary Heusler-type compounds.

cond-mat.mtrl-sci↗

arXiv2023

High spin-polarization in a disordered novel quaternary Heusler alloy FeMnVGa

In this work, we report the successful synthesis of a Fe-based novel half-metallic quaternary Heusler alloy FeMnVGa and its structural, magnetic and transport properties probed through different experimental methods and theoretical technique. Density functional theory (DFT) calculations performed on different types of structure reveal that Type-2 ordered structure (space group: F-43m, Ga at 4a, V at 4b, Mn at 4c and Fe at 4d) possess minimum energy among all the ordered variants. Ab-initio simulations in Type 2 ordered structure further reveal that the compound is half-metallic ferromagnet (HMF) having a large spin-polarization (89.9 %). Neutron diffraction reveal that the compound crystalizes in disordered Type-2 structure (space group: Fm-3m) in which Ga occupy at 4a, V at 4b and Fe/Mn occupy 4c/4d sites with 50:50 proportions. The structural disorder is further confirmed by X-ray diffraction (XRD), extended X-ray absorption fine structure (EXAFS),57Fe Mossbauer spectrometry results and DFT calculations. Magnetisation studies suggest that the compound orders ferromagnetically below TC ~ 293 K and the saturation magnetization follows Slater-Pauling rule. Mossbauer spectrometry, along with neutron diffraction suggest that Mn is the major contributor to the total magnetism in the compound consistent with the theoretical calculations. First principle calculations indicate that spin-polarization remain high (81.3 %) even in the presence of such large atomic disorder. The robustness of the HMF property in presence of disorder is a quite unique characteristic over other reported HMF in literature and make this compound quiet promising for spintronics applications.

cond-mat.str-el↗

arXiv2023

A Universal Strategy of Perovskite Ink-Substrate Interaction to Overcome the Poor Wettability of a Self-Assembled Monolayer for Reproducible Perovskite Solar Cells

Perovskite solar cells employing self assembled monolayers such as Me-4PACz as hole transport layer has been reported to demonstrate high device efficiency. However, the poor perovskite wetting on the Me-4PACz caused by poor perovskite ink interaction with the underlying Me-4PACz presents significant challenges for fabricating efficient perovskite devices. A triple co-solvent system comprising of dimethylformamide (DMF), dimethyl sulfoxide (DMSO) and N-methyl-2-pyrrolidone (NMP) is employed to improve the perovskite ink-substrate interaction and obtain a uniform perovskite layer. In comparison to DMF, DMSO-based inks, the inclusion of NMP shows considerably higher binding energies of the perovskite ink with Me-4PACz as revealed by density-functional theory calculations. With the optimized triple co-solvent ratio, the perovskite devices deliver high power conversion efficiencies of >20%, 19.5% and ~18.5% for active areas of 0.16 cm2, 0.72 cm2 and 1.08 cm2 respectively. Importantly, this perovskite ink-substrate interaction approach is universal and helps in obtaining a uniform layer and high photovoltaic device performance for other perovskite compositions such as MAPbI3, FAMAPbI3-xBrx, and MA-free FACsPbI3-xBrx.

physics.app-ph↗

arXiv2023

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-4f and Co-3d moments, which is antiferromagnetic in nature. Detailed studies of temperature-dependent dc magnetic susceptibility, field dependence of isothermal magnetization, non-equilibrium 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 3d/5d-conduction carriers are blocked in the system and act as a barrier for the 4f-4f 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$_2$TX$_3$ (R=rare-earth, T=transition elements and X=Si, Ge, In) type compounds. Due to the competing character of the itinerant 3d and localized 4f moments, the compound exhibits anomalous field dependence of magnetic coercivity.

cond-mat.str-el↗

arXiv2022

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

Half-metallic ferromagnets (HMF) are on one of the most promising materials in the field of spintronics due to their unique band structure consisting of one spin sub-band having metallic characteristics along with another sub-band with semiconductor-like behavior. In this work, we report the synthesis of a novel quaternary Heusler alloy FeMnVAl and 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 indicates the presence of a half-metallic ferromagnetic ground state. A detailed and careful investigation of the x-ray diffraction data, Mössbauer and nuclear magnetic resonance spectra suggest 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 $\sim$213 K. The ${^{57}}$Fe Mössbauer spectrometry measurements suggest 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\% ${\rightarrow}$ 90.4\%) from the Mn-Fe structural disorder, even when nonmagnetic Fe and moment carrying Mn sites are entangled inseparably. 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 these class of materials, over the available knowledge.

cond-mat.str-el↗

arXiv2022

Tuning paradigm of external stimuli driven electronic, optical, and magnetic properties in Hybrid Perovskites and Metal Organic Complexes

We have witnessed a wide range of theoretical as well as experimental investigations to envisage external stimuli induced changes in electronic, optical, and magnetic properties in the metal organic complexes, while hybrid perovskites have recently joined this exciting league of explorations. The flexible organic linkers in such complexes are ideal for triggering not only spin transitions but also a plethora of different responses under the influence of external stimuli like pressure, temperature, and light. A diverse range of applications particularly in the field of optoelectronics, spintronics, and energy scavenging have been manifested. Hysteresis associated with light induced transitions and spin-crossover governed by pressure and temperature are promising phenomena for the design principles behind memory devices and optical switches. Pressure induced optical properties tuning or piezochromism has also emerged as one of the prominent areas in the field of hybrid perovskites. It is thus imperative to have a clear understanding of how the tuning in electronic, optical, and magnetic properties occur under various stimuli. Selectivity of the stimulus could be influential behind the maximum efficiency in the field of energy and optoelectronic research to determine in what future directions this field could be driven from the perspective of futuristic material properties. This review though primarily focuses on the theoretical aspects of understanding the different mechanisms of the phenomena, does provide a unique overview of the experimental literature too, such that relevant device applications can be considered through a future roadmap of tuning paradigm of external stimuli. It also provides an insight as to how energy and memory storage may be combined by using the principles of spin transition in metal organic complexes.

cond-mat.mtrl-sci↗

arXiv2021

Knowledge-Aware Neural Networks for Medical Forum Question Classification

Online medical forums have become a predominant platform for answering health-related information needs of consumers. However, with a significant rise in the number of queries and the limited availability of experts, it is necessary to automatically classify medical queries based on a consumer's intention, so that these questions may be directed to the right set of medical experts. Here, we develop a novel medical knowledge-aware BERT-based model (MedBERT) that explicitly gives more weightage to medical concept-bearing words, and utilize domain-specific side information obtained from a popular medical knowledge base. We also contribute a multi-label dataset for the Medical Forum Question Classification (MFQC) task. MedBERT achieves state-of-the-art performance on two benchmark datasets and performs very well in low resource settings.

cs.CL↗

arXiv2021

NuSTAR monitoring of MAXI J1348-630: evidence of high density disc reflection

We present the broadband spectral analysis of all the six hard, intermediate and soft state NuSTAR observations of the recently discovered transient black hole X-ray binary MAXI J1348-630 during its first outburst in 2019. We first model the data with a combination of a multi-colour disc and a relativistic blurred reflection, and, whenever needed, a distant reflection. We find that this simple model scheme is inadequate in explaining the spectra, resulting in a very high iron abundance. We, therefore, explore the possibility of reflection from a high-density disc. We use two different sets of models to describe the high-density disc reflection: relxill-based reflection models, and reflionx-based ones. The reflionx-based high-density disc reflection models bring down the iron abundance to around the solar value, while the density is found to be $10^{20.3-21.4} \rm cm^{-3}$. We also find evidence of a high-velocity outflow in the form of $\sim$7.3 keV absorption lines. The consistency between the best-fit parameters for different epochs and the statistical significance of the corresponding model indicates the existence of high-density disc reflection in MAXI J1348-630.

astro-ph.HE↗

arXiv2021

Probing Photo-excited Charge Carrier Trapping and Defect Formation in Synergistic Doping of SrTiO3

Strontium titanate (SrTiO3) is widely used as a promising photocatalyst due to its unique band edge alignment with respect to the oxidation and reduction potential corresponding to oxygen evolution reaction (OER) and hydrogen evolution reaction (HER). However, further enhancement of the photocatalytic activity in this material could be envisaged through the effective control of oxygen vacancy states. This could substantially tune the photoexcited charge carrier trapping under the influence of elemental functionalization in SrTiO3, corresponding to the defect formation energy. The charge trapping states in SrTiO3 decrease through the substitutional doping in Ti sites with p-block elements like Aluminium (Al) with respect to the relative oxygen vacancies. With the help of electronic structure calculations based on density functional theory (DFT) formalism, we have explored the synergistic effect of doping with both Al and Iridium (Ir) in SrTiO3 from the perspective of defect formation energy, band edge alignment and the corresponding charge carrier recombination probability to probe the photoexcited charge carrier trapping that primarily governs the photocatalytic water splitting process. We have also systematically investigated the ratio-effect of Ir:Al functionalization on the position of acceptor levels lying between Fermi and conduction band in oxygen deficient SrTiO3, which governs the charge carrier recombination and therefore the corresponding photocatalytic efficiency.

cond-mat.mtrl-sci↗

arXiv2020

A spectral study of the black hole X-ray binary MAXI J1820+070 with AstroSat and NuSTAR

MAXI J1820+070 is a newly discovered transient black hole X-ray binary, which showed several spectral and temporal features. In this work, we analyse the broadband X-ray spectra from all three simultaneously observing X-ray instruments onboard AstroSat, as well as contemporaneous X-ray spectra from NuSTAR, observed during the hard state of MAXI J1820+070 in March 2018. Implementing a combination of multi-colour disc model, relativistic blurred reflection model relxilllpCp and a distant reflection in the form of xillverCp, we achieve reasonable and consistent fits for AstroSat and NuSTAR spectra. The best-fit model suggests a low temperature disc ($kT_{\rm in} \sim 0.3$ keV), iron overabundance ($A_{\rm Fe} \sim 4-5$ solar), a short lamp-post corona height ($h \lesssim 8 R_{\rm g}$), and a high corona temperature ($kT_{\rm e} \sim 115-150$ keV). Addition of a second Comptonisation component leads to a significantly better fit, with the $kT_{\rm e}$ of the second Comptonisation component being $\sim 14-18$ keV. Our results from independent observations with two different satellites in a similar source state indicate an inhomogeneous corona, with decreasing temperature attributed to increasing height. Besides, utilising the broader energy coverage of AstroSat, we estimate the black hole mass to be $6.7-13.9 \ M_{\odot}$, consistent with independent measurements reported in the literature.

astro-ph.HE↗

arXiv2020

Enhanced electrocatalytic oxygen evolution activity in geometrically designed SrRuO3 thin films

For generation of sustainable, clean and highly efficient energy, the electrocatalytic oxygen evolution reaction represents an attractive platform, thus inviting immense research activities in recent years. However, designing the catalyst with enhanced electrocatalytic activity remains one of the major challenges. Here, we examined the oxygen evolution reaction activities of geometrically designed (with and without step-textured morphology) thin films of an electrocatalytically active correlated metallic SrRuO3 perovskite grown on c- and r-plane sapphire substrates. On c-plane sapphire, as compared to the uniform surface, the step-textured films endowed with active Ru-sites show remarkable decrease in the overpotential (25 mV). Interestingly, the behavior is opposite for the r-plane case, highlighting the significance of the active sites, in addition with the polar surface termination of selective crystal facets. Density functional theory calculation confirms the favorable energy reaction pathway for the active site dependent enhancement in OER. Our strategy might pave the way towards designing the surfaces of various oxide thin films for high performance energy conversion based devices.

cond-mat.mtrl-sci↗

arXiv2019

Estimation of the jet inclination angle for the TDE Swift J1644+57

An estimate of the jet inclination angle relative to the accreting black hole's spin can be useful to probe the jet triggering mechanism and the disc--jet coupling. A Tidal Disruption Event (TDE) of a star by a supermassive spinning black hole provides an excellent astrophysical laboratory to study the jet direction through the possibility of jet precession. In this work, we report a new method to constrain the jet inclination angle $β$ and apply it to the well-sampled jetted TDE Swift J1644+57. This method involves X-ray data analysis and comparisons of jet models with broad properties of the observed X-ray dips, to estimate the upper limit of the extent of the contribution of a plausible jet precession to these X-ray dips. From this limit, we find that $β$ is very likely to be less than $\sim 15^\circ$ for Swift J1644+57. Such a well-constrained jet inclination angle could be useful to probe the jet physics. The main advantage of our method is that it does not need to assume an origin of the observed X-ray dips, and the conclusion does not depend on any particular type of jet precession (e.g., the one due to the Lense-Thirring effect) or any specific value of precession frequency or any particular jet model. These make this method reliable and applicable to other jetted TDEs, as well as to other jetted accreting systems.

astro-ph.HE↗

arXiv2016

Cationic Effect on Pressure driven Spin-State Transition and cooperativity in Hybrid Perosvkites

Hybrid or metal organic framework (MOF) perovskites of general composition, ABX$_3$, are known to show interesting properties which can lead to variety of technological applications. Our first principles study shows they are also potential candidates for exhibiting cooperative spin-state transitions upon application of external stimuli. We demonstrate this by considering two specific Fe-based MOF perovskites, namely Dimethylammonium Iron Formate, [CH$_{3}$NH$_{2}$CH$_{3}$][Fe(HCOO)$_3$] and Hydroxylammonium Iron Formate, [NH$_{3}$OH][Fe(HCOO)$_3$]. Both the compounds are found to undergo high-spin (S=2) to low-spin (S=0) transition at Fe(II) site upon application of moderate strength of hydrostatic pressure, along with large hysteresis. This spin-state transition is signaled by the changes in electronic, magnetic and optical properties. We find both the transition pressure and the width of the hysteresis to be strongly dependent of the choice of A-site cation, Dimethylammonium or Hydroxylammonium, implying tuning of spin-switching properties achievable by chemical variation of the amine cation in the structure. Our finding opens up novel functionalities in this family of materials of recent interest, which can have important usage in sensors and memory devices.

cond-mat.mtrl-sci↗

arXiv2015

Molecular mechanism of water permeation in helium impermeable graphene and graphene oxide membrane

The layers of graphene oxide (GO) are found to be good for permeation of water but not for helium (Science 2012 335 (6067): 442-444) suggesting that the GO layers are dynamic in the formation of permeation route depending on the environment they are in (i.e, water or helium). To probe the microscopic origin of this observation we calculate the potential of mean force (PMF) of GO sheets (oxidized and reduced parts), with inter-planar distance as reaction coordinate in helium and water. Our PMF calculation shows that equilibrium interlayer distance between oxidized part of GO sheets in helium is at 4.8 Å leaving no space for helium permeation. In contrast PMF of oxidized part of GO in water shows two minima one at 4.8 Å and another at 6.8 Å corresponding to no water and water filled region and thus giving rise to permeation path. The increased electrostatic interaction between water with the oxidized part of the sheet helps the sheet opening up and pushing water inside. Based on the entropy calculations for water trapped between graphene sheets and oxidized graphene sheets at different inter-sheet spacing we also show the thermodynamics of filling.

cond-mat.mes-hall↗