arXiv subjects

D. Bhattacharyya

Publications and source records attributed to D. Bhattacharyya.

14 recordsLinked to original sources

arXiv2025

Al$_2$MnCu: A magnetically ordered member of the Heusler alloy family despite having a valence electron count of 24

The magnetic property of the Heusler alloys can be predicted by the famous Slater-Pauling (S-P) rule, which states the total magnetic moment ($m_t$) of such materials can be expressed as $m _t\,=\,(N_V-24)\,μ_B/f.u.$, where $N_V$ is the total valence electron count (VEC). Consequently, no Heusler alloys having VEC = 24 are theoretically expected as well as experimentally reported to have any magnetic ordering. Recently, a special class of Heusler alloys with 50\% concentration of $p$-block elements (anti-Heusler) have been identified, although none of such reported compounds belong to the VEC 24 category. Here, we report a new anti-Heusler alloy, Al$_2$MnCu, that undergoes long-range ferromagnetic (FM) ordering with $T_{\rm C}\sim$315 K and a large magnetic moment of $\sim$1.8 $μ_B$/f.u. despite having VEC 24. A phenomenological model based on molecular orbital hybridization is also proposed to understand the magnetism and unusual deviation from the standard S-P rule.

cond-mat.mtrl-sci↗

arXiv2024

Randomness in atomic disorder and consequent squandering of spin-polarization in a ferromagnetically fragile quaternary Heusler alloy FeRuCrSi

Ru$_{2-x}$Fe$_x$CrSi ( 0 $<$ x $<$1) system is theoretically predicted to be one of the very few known examples of robust half-metallic ferromagnet with 100\% spin polarization. Since Cr is considered to be the main contributor to magnetism, the Fe/Ru substitution is not expected to disturb its magnetic properties any significantly, and hence all Fe-containing members of the series are predicted to follow Slater-Pauling rule with a saturation magnetic moment of 2 ${\mu_B}$/f.u. However, contrarily to the theoretical expectations, some experiments rather show a linear variation of the saturation magnetization and Curie temperature with Fe (\textit{x}) substitution. The equiatomic member FeRuCrSi of this family is also considered as a technologically important material, where the band structure calculations suggest the material to be spin gapless semiconductor. Through our in-depth structural analysis of FeRuCrSi using X-ray diffraction, extended X-ray absorption fine structure and $^{57}$Fe M\"{o}ssbauer spectrometry, we found a random disorder between Fe and Ru sites, while the magnetic moment in this system is actually contributed by Fe atoms, questioning the very basic foundation of the half-metallic character proposed by all theoretical calculations on Ru$_{2-x}$Fe$_x$CrSi series. Our M\"{o}ssbauer result also envisions a rather rare scenario where the main physical properties are intricately correlated to the chemistry of the material in the form of random atomic disorder on a localised scale.

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↗

arXiv2021

Perception and Attitude of Reddit Users Towards Use of Face-Masks in Controlling COVID-19

In the wake of the COVID-19 pandemic, World Health Organization (WHO) recommended the use of face-masks to combat the disease. A fraction of the population has been vocal about their disapproval, especially on social media. Motivated by the need to understand their opinions, an international online survey in English was shared to the community /r/SampleSize in Reddit. The results obtained were summarized; binomial and multinomial confidence intervals were constructed for variables of interest; Pearson's Chi-squared test was used to test whether relationship exists between two variables of interest. A second, smaller survey was conducted to cross-validate the results. The study demonstrates that despite the digital polarization of public opinion, opinions from both sides of the spectrum are not ubiquitous.

cs.SI↗

arXiv2021

CoFeVSb: A Promising Candidate for Spin Valve and Thermoelectric Applications

We report a combined theoretical and experimental study of a novel quaternary Heusler system CoFeVSb from the view point of room temperature spintronics and thermoelectric applications. It crystallizes in cubic structure with small DO$_3$-type disorder. The presence of disorder is confirmed by room temperature synchrotron X-ray diffraction(XRD) and extended X-ray absorption fine structure (EXAFS) measurements. Magnetization data reveal high ordering temperature with a saturation magnetization of 2.2 $μ_B$/f.u. Resistivity measurements reflect half-metallic nature. Double hysteresis loop along with asymmetry in the magnetoresistance(MR) data reveals room temperature spin-valve feature, which remains stable even at 300 K. Hall measurements show anomalous behavior with significant contribution from intrinsic Berry phase. This compound also large room temperature power factor ($\sim0.62$ mWatt/m/K$^{2}$) and ultra low lattice thermal conductivity ($\sim0.4$ W/m/K), making it a promising candidate for thermoelectric application. Ab-initio calculations suggest weak half-metallic behavior and reduced magnetization (in agreement with experiment) in presence of DO$_3$ disorder. We have also found an energetically competing ferromagnetic FM)/antiferromagnetic (AFM) interface structure within an otherwise FM matrix: one of the prerequisites for spin valve behavior. Coexistence of so many promising features in a single system is rare, and hence CoFeVSb gives a fertile platform to explore numerous applications in future.

cond-mat.mtrl-sci↗

arXiv2021

A Shiny Application for Conducting Electronic Surveys Using Randomized Response Techniques

Randomized response techniques (RRT) are useful for collecting information on sensitive or confidential attributes in sample surveys. However, such RRTs are rarely used except for pure academic research, as they are deemed to be confusing for respondents and difficult to be administered. Switching to an electronic medium is a solution for this. Standard electronic survey mediums lack the option of effectively incorporating a randomization device into it. This paper introduces a Shiny application that implements two popular Randomized Response Techniques, namely, Warner (1965) and Simmons (1967), to collect information on sensitive issues via electronic surveys, and save them using local or remote storage. Code and its detailed explanation has been provided for suitable use by survey statisticians and practitioners. The method suggested here can be extended to implement any Randomized Response Technique. Thus, this paper lays the groundwork of implementing RRTs as electronic surveys for widespread use by the polling industry.

stat.ME↗

arXiv2021

Biocarbon reinforced polypropylene composite: An investigation of mechanical and filler behavior through advanced dynamic atomic force microscopy and X-ray micro CT

Polymer composites were manufactured using biocarbon particles as a reinforcing filler to improve the mechanical and thermal properties. However, a detailed examination of dispersion and agglomeration of filler is essential to correlate the filler matrix and the filler and filler interactions with the mechanical properties of the product. We investigated the variations of mechanical, agglomeration behaviour of fillers, and thermal properties of polypropylene coconut shell biocarbon composites. PP CSB composites were prepared by melt mixing process varying the CSB content using a Brabender mixer. The nanomechanical mapping of the composites studied using Atomic Force Microscopy revealed an increase in Youngs modulus from 1.6 to 2.9 GPa when CSB loading increased from 0 to 20 weight percentage. The dispersion and agglomeration of CSB filler in the PP matrix were investigated using 3D reconstructed images with the help of X-ray micro CT, and a dedicated 3D reconstruction software. The thermal stability of the PP CSB composites also improved with an increase in CSB content in PP.

physics.app-ph↗

arXiv2019

Oxygen vacancy mediated cubic phase stabilization at room temperature in pure nano-crystalline Zirconia films: A combined experimental and first-principles based investigation

We report the formation of cubic phase, under ambient conditions, in thin films of Zirconia synthesized by electron beam evaporation technique. The stabilization of the cubic phase was achieved without the use of chemical stabilizers and/or concurrent ion beam bombardment. Films of two different thickness (660 nm, 140 nm) were deposited. The 660 nm and 140 nm films were found to be stoichiometric (ZrO2) and off-stoichiometric (ZrO1.7) respectively by Resonant Rutherford back-scattering spectroscopy. While the 660 nm as-deposited films were in the cubic phase, as indicated by X-ray diffraction and Raman spectroscopy measurements, the 140 nm as-deposited films were amorphous and the transformation to cubic phase was obtained after thermal annealing. Extended X-ray absorption fine structure measurements revealed the existence of Oxygen vacancies in the local structure surrounding Zirconium for all films. However, the amount of these Oxygen vacancies was found to be significantly higher for the amorphous films as compared to the films in the cubic phase (both 660 nm as-deposited and 140 nm annealed films). The cubic phase stabilization is explained on the basis of suppression of the soft X2- mode of vibration of the Oxygen sub-lattice due to the presence of the Oxygen vacancies. Our first-principles modeling under the framework of density functional theory shows that the cubic structure with Oxygen vacancies is indeed more stable at ambient conditions than its pristine (without vacancies) counterpart. The requirement of a critical amount of these vacancies for the stabilization of the cubic phase is also discussed.

cond-mat.mtrl-sci↗

arXiv2018

Evolution of the $M_{\bullet} - σ$ relation

Black holes at the centers of the galaxies grow mainly by the processes of accretion, mergers, and consumption of stars. In the case of gas accretion with cooling sources, the flow is momentum driven, after which the black hole reaches a saturated mass, and subsequently, it grows only by consumption of stars. In addition, we include the effect of mergers on the growth of black hole spin and mass and study its evolution as a function of redshift in a $Λ$CDM cosmology using an initial seed mass and spin distribution functions that we have derived. For the stellar ingestion, we have assumed a power-law density profile for the galaxy in our framework of a new relativistic loss cone theory that includes the effect of the black hole spin. We predict the impact of the evolution on the $M_{\bullet} - σ$ relation and compare it with available observations.

astro-ph.GA↗

arXiv2018

$\mathrm{Co_2Fe_{1-x}Cr_xSi}$ Heusler Alloys : A promising material for spintronics application

In this article, we investigated the effect of Cr substitution in place of Fe on the structural, magnetic and transport properties of $\mathrm{Co_2FeSi}$ alloy. A comprehensive structural analysis is done using X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) spectroscopy. Quaternary Heusler compounds $\mathrm{Co_2Fe_{1-x}Cr_xSi}$ with Cr content (x = 0.1, 0.3, 0.5) were found to crystallize in cubic structure. The synchrotron based EXAFS studies reveal that the anti-site disorder increases with the increase in Cr concentration. The saturation magnetization values in all the alloys are found to be less than those expected from the Slater-Pauling rule, which may be due to the some inherent disorder. A detailed resistivity analysis in the temperature range of 5-300 K is done, taking into account different scattering mechanisms. The residual resistivity ratio is found to decrease with increasing Cr concentration. A disorder induced resistivity minimum due to weak localization effect is seen for x = 0.5. The resistivity measurements also indicate that the half-metallic character survives upto 100 K for x = 0.1, whereas the alloys with x= 0.3 and 0.5 show signature of half- metallic nature even at higher temperatures. First principles calculation done with a more robust exchange correlation functional (namely HSE-06) confirms the half metallicity in the entire concentration range. Theoretically simulated band gap and magnetic moments compliment the experimental findings and are compared wherever possible. All these properties make $\mathrm{Co_2Fe_{1-x}Cr_xSi}$ a promising material for spintronics application.

cond-mat.mtrl-sci↗

arXiv2017

Search for Origin of Room Temperature Ferromagnetism Properties in Ni doped ZnO Nanostructure

The origin of room temperature (RT) ferromagnetism (FM) in Ni doped ZnO samples are systematically investigated through physical, optical, and magnetic properties of nanostructure, prepared by simple low-temperature wet chemical method. Reitveld refinement of X-ray diffraction pattern displays an increase in lattice parameters with strain relaxation and contraction in Zn/O occupancy ratio by means of Ni-doping. Similarly scanning electron microscope demonstrates modification in the morphology from nanorods to nanoflakes with Ni doping, suggests incorporation of Ni ions in ZnO. More interestingly, XANES (X-ray absorption near edge spectroscopy) measurements confirm that Ni is being incorporated in ZnO as Ni2+. EXAFS (Extended X-ray Absorption Fine Structure) analysis reveals that structural disorders near the Zn sites in the ZnO samples upsurges with increasing Ni concentration. Raman spectroscopy exhibits additional defect driven vibrational mode at 275 cm-1, appeared with Ni-doped sample only and the shift with broadening in 580 cm-1 peak, which manifests the presence of the oxygen vacancy (VO) related defects. Moreover, in photoluminescence (PL) spectra we observed peak appears at 524 nm, indicates the presence of singly ionized VO+, which may activate bound magnetic polarons (BMPs) in dilute magnetic semiconductors (DMSs). Magnetization measurements indicate weak ferromagnetism at RT, which rises with increasing Ni consolidation. It is therefore proposed that effect of the Ni-ions as well as the inherent exchange interactions rising from VO+ assist to produce BMPs, which are accountable for the RT-FM in Zn1-xNixO (0<x<0.125) system.

cond-mat.mtrl-sci↗

arXiv2017

Structural, electronic, magnetic and transport properties of equiatomic quaternary Heusler Alloy CoRhMnGe: Theory and Experiment

In this work, we present structural, electronic, magnetic, mechanical and transport properties of equiatomic quaternary Heusler alloy, CoRhMnGe using both theoretical and experimental techniques. A detailed structural analysis is performed using X-ray diffraction(XRD) and extended X-ray absorption fine structure(EXAFS) spectroscopy. The alloy is found to crystallize in Y-type structure having space group $F\bar{4}3m$ (\# 216). The ab-initio simulation pedict half-metallic ferromagnetic characteristics leading to large spin polarization. The calculated magnetization is found to be in fair agreement with experiment as well as those predicted by the Slater-Pauling rule, which is a prerequisite for half-metallicity. The magnetic transition temperature($\mathrm{T_{C}}$) is found to be $\sim 760$ K. Measured electrical resistivity in the temperature range 2-400 K also gives an indication of half-metallic behavior. Simulated resistivity matches fairly well with those measured, with the temperature dependant carrier relaxation time lying in the range $1-2$ fs. Effect of hydrostatic pressure on electronic structure, magnetic and mechanical properties are investigated in detail. The alloy is found to preserve half-metallic characteristics upto 30.27 GPa beyond which it transit to metallic phase. No magnetic phase transition is found to occur in the whole range of pressure. The system also satisfies the Born-Huang criteria for mechanical stability upto a limited range of pressure. All these properties make CoRhMnGe alloy promising for spintronics devices.

cond-mat.mtrl-sci↗

arXiv2015

Local structure surrounding V sites in Co doped ZnV2O4

Co doped ZnV2O4 has been investigated by Synchrotron X-ray diffraction, Magnetization measurement and Extended X-ray absorption fine structure (EXAFS) analysis. With Co doping in the Zn site the system moves towards the itinerant electron limit. From Synchrotron and magnetization measurement it is observed that there is an effect in bond lengths and lattice parameters around the magnetic transition temperature. The EXAFS study indicates that Co ion exists in the High spin state in Co doped ZnV2O4.

cond-mat.str-el↗

arXiv2013

Effect of size and aspect ratio on structural parameters and evidence of shape transition in zinc oxide nanostructures

Dependence of structural parameters on the size of nanoparticles is a topic of general interest where the effect of shape is often neglected. We report a comprehensive study on size dependent structural parameters of ZnO nanostructures (NS) having a wide range of aspect ratios (length/diameter). It reveals that with increase in size, ZnO NS undergo a shape transition from spherical to rod like morphology that induces sudden change in internal parameter (u) which represents relative position of two hexagonal close-packed sublattices. The change in u introduces concomitant changes in anion-cation (Zn-O) bond lengths as well as bond angles and thereby bears a linear dependence with the aspect ratio (AR). Further, the unit cell volume and microstrain decrease with increase in particle size and show a drastic reduction when flat crystal faces begin to appear at the spherical surface (AR~1.3). The significant change in structural parameters associated with the shape transition arises due to surface dipole induced electrostatic relaxation that may be further influenced by interaction with the ambient gases as evidenced from the Extended X-ray Absorption Fine Structure (EXAFS) measurement. The present study addresses the underlying reasons of shape induced change in structural and electronic properties of ZnO NS.

cond-mat.mtrl-sci↗