arXiv subjects

Soma Banik

Publications and source records attributed to Soma Banik.

16 recordsLinked to original sources

arXiv2025

Hexagonal polymorphism induced structural disorder and dielectric anomalies of Ca/Mn modified BaTiO3

This work involves the local structural investigation of the samples using Extended X-ray Absorption Spectra (EXAFS) analysis to investigate structural changes due to the Ca and Mn-modified BaTiO3. TEM investigation of the crystal structure reveals the coexistence of the tetragonal and hexagonal phases of BaTiO3. Band gap modification and Urbach tail variation in UV-DRS measurements reveal a reduction of band gap from UV to Visible range (3.2 eV to 2 eV). This band gap change is correlated with the valence band modification observed in PES measurements due to localised defects in the material, and supported by theoretical Density of States calculations. The electron localisation function calculation is used to analyse the changes in the localised electron density near the dopant atoms. It reveals the local expansion and contraction of the lattice surrounding the dopant atom. All these structural modifications lead to variations in the dielectric properties and diffusive nature of the phase transition. The defect-induced structural modifications, multiple phase coexistence, band gap variations and dielectric properties are explored and correlated.

cond-mat.mtrl-sci↗

arXiv2025

Electron doping in single crystalline BaBiO$_3$: BaBiO$_{3-x}$F$_{x}$

Topological insulators are a new class of insulators with conducting surface state. Most of the topological insulators are chalcogenides, where a tiny amount of chalcogen vacancy destroys the predicted bulk insulating state and results in a metallic or semimetallic bulk electrical transport. BaBiO$_3$ (BBO) is an interesting large bandgap (0.7 eV) insulator that upon hole doping becomes a superconductor and is theoretically predicted to show a topological insulating state under electron doping. We have explored electron doping through the chemical substitution of fluorine atoms at the oxygen site. The single crystals of BBO and fluorine doped BBO were synthesized via a one-step solid-state technique. The single crystals of pure BBO and 10 % F -doped BBO (BaBiO$_{2.7}$F$_{0.3}$) are chemically single-phase samples and crystallize in monoclinic I2/m crystal structure. The core level and valence band X-ray photoelectron spectra confirm electron doping in the 10% fluorine-doped BBO. 20 % F-doped BBO appears to be a multiphase sample, confirmed by back-scattered electron (BSE) imaging and X-ray diffraction. This article reports on the successful growth of pure and F-doped BBO using a one-step solid-state technique and discusses the effect of F-doping on structural and electronic properties.

cond-mat.str-el↗

arXiv2025

Localized Radiofrequency Heating for Enhanced Thermoelectric Energy Generation Using Natural Galena Ore

The efficiency of thermoelectric devices can be significantly enhanced by maintaining a stable temperature gradient, which can be achieved through localized heating. Radio waves serve as an ideal heat source for this purpose. In this study, we demonstrate the enhancement of thermoelectric performance in earth-abundant natural ore Galena (PbS) through localized radio frequency (RF) heating. RF heating experiments conducted at frequencies between \SI{35}{MHz} and \SI{45}{MHz} induced substantial localized heating in PbS, generating a temperature gradient of \SI{32}{K}. This resulted in a Seebeck voltage of \SI{-5.8}{mV/K}, approximately 13 times greater than the conventional Seebeck coefficient of PbS (\SI{440}{\micro V/K}). Additionally, a power factor of \SI{151}{mWm^{-1}K^{-2}} and an overall RF to thermoelectric conversion efficiency of 15\% were achieved. Molecular dynamics simulations corroborate the experimental findings, providing insights into the mechanism of thermal transport and RF-induced heating in PbS. These results highlight the potential of localized RF heating as an effective strategy for enhancing thermoelectric performance, with promising implications for ambient thermoelectric energy harvesting applications.

cond-mat.mtrl-sci↗

arXiv2025

Anomalous Lattice Effect Originated Metal-Insulator Transition in FeSe$_x$

We present a comprehensive investigation of the structural, electrical transport, and magnetic properties of FeSe$_{\it{x}}$ ($\it{x}$ = 1.14, 1.18, 1.23, 1.28, and 1.32) to unravel the mechanism of the metal-insulator transition observed in these systems. For this, we systematically evaluated the structural parameters of FeSe$_{\it{x}}$ as a function of Se concentration and temperature. We observe increased lattice constants and cell volume with increased Se concentration. On the other hand, the temperature-dependent XRD studies suggest unusual lattice change around the metal-insulator (MI) transition temperature of the respective compositions. This remarkable observation suggests that the anomalous lattice effect originates the MI transition in these systems. Additionally, our density of states (DOS) calculations on FeSe$_{1.14}$ qualitatively explain the MI transition, as the low-temperature (50 K) structure DOS suggests a metallic nature and the high-temperature (300 K) structure DOS shows a gap near the Fermi level.

cond-mat.str-el↗

arXiv2023

Ultrafast Carrier Relaxation and Second Harmonic Generation in a Higher-Fold Weyl Fermionic System PtAl

In topological materials, shielding of bulk and surface states by crystalline symmetries has provided hitherto unknown access to electronic states in condensed matter physics. Interestingly, photo-excited carriers relax on an ultrafast timescale, demonstrating large transient mobility that could be harnessed for the development of ultrafast optoelectronic devices. In addition, these devices are much more effective than topologically trivial systems because topological states are resilient to the corresponding symmetry-invariant perturbations. By using optical pump probe measurements, we systematically describe the relaxation dynamics of a topologically nontrivial chiral single crystal, PtAl. Based on the experimental data on transient reflectivity and electronic structures, it has been found that the carrier relaxation process involves both acoustic and optical phonons with oscillation frequencies of 0.06 and 2.94 THz, respectively, in picosecond time scale. PtAl with a space group of $P$$2_{1}$3 allows only one non-zero susceptibility element i.e. $d_{14}$, in second harmonic generation (SHG) with a large value of 468(1) pm/V, which is significantly higher than that observed in standard GaAs(111) and ZnTe(110) crystals. The intensity dependence of the SHG signal in PtAl reveals a non-perturbative origin. The present study on PtAl provides deeper insight into topological states which will be useful for ultrafast optoelectronic devices.

cond-mat.mes-hall↗

arXiv2022

Effect on the Electronic and Magnetic Properties of Antiferromagnetic Topological Insulator MnBi$_2$Te$_4$ with Sn Doping

We thoroughly investigate the effect of nonmagnetic Sn doping on the electronic and magnetic properties of antiferromagnetic topological insulator MnBi$_2$Te$_4$. We observe that Sn doping reduces the out-of-plane antiferromagnetic (AFM) interactions in MnBi$_2$Te$_4$ up to 68\% of Sn concentration and above the system is found to be paramagnetic. In this way, the anomalous Hall effect observed at a very high field of 7.8 T in MnBi$_2$Te$_4$ is reduced to 2 T with 68\% of Sn doping. Electrical transport measurements suggest that all compositions are metallic in nature, while the low-temperature resistivity is sensitive to the AFM ordering and to the doping-induced disorder. Hall effect study demonstrates that Sn actually dopes electrons into the system, thus, enhancing the electron carrier density almost by two orders at 68\% of Sn. In contrast, SnBi$_2$Te$_4$ is found to be a p-type system. Angle-resolved photoemission spectroscopy (ARPES) studies show that the topological properties are intact at least up to 55\% of Sn as the Dirac surface states are present in the valance band, but in SnBi$_2$Te$_4$ we are unable to detect the topological states due to heavy hole doping. Overall, Sn doping significantly affects the electronic and magnetic properties of MnBi$_2$Te$_4$.

cond-mat.mtrl-sci↗

arXiv2021

Temperature induced first order electronic topological transition in $β$-Ag$_2$Se

$β$-Ag$_2$Se is a promising material for room temperature thermoelectric applications and magneto-resistive sensors. However, no attention was paid earlier to the hysteresis in the temperature dependence of resistivity ($ρ$($T$)). Here, we show that a broad hysteresis above 35 K is observed not only in $ρ$($T$), but also in other electronic properties such as Hall coefficient ($R_H$($T$)), Seebeck coefficient, thermal conductivity and ultraviolet photoelectron spectra (UPS). We also show that the hysteresis is not associated with a structural transition. The $ρ$($T$) and $R_H$($T$) show that $β$-Ag$_2$Se is semiconducting above 300 K, but metallicity is retained below 300 K. While electronic states are absent in the energy range from the Fermi level ($E_F$) to 0.4 eV below the $E_F$ at 300 K, a distinct Fermi edge is observed in the UPS at 15 K suggesting that the $β$-Ag$_2$Se undergoes an electronic topological transition from a high temperature semiconducting state to a low temperature metallic state. Our study reveals that a constant and moderately high thermoelectric figure of merit ($ZT$) in the range 300-395 K is observed due to the broad semiconductor to metal transition in $β$-Ag$_2$Se.

cond-mat.mtrl-sci↗

arXiv2020

Localization of electronic states resulting from electronic topological transitions in the Mo$_{1-x}$Re$_x$ alloys: A photoemission study

We present the results of resonant photoemission spectroscopy experiments on the Mo$_{1-x}$Re$_{x}$ alloy compositions spanning over two electronic topological transitions (ETT) at the critical concentrations $x_{C1}$ = 0.05 and $x_{C2}$ = 0.11. The photoelectrons show an additional resonance ($R3$) in the constant initial state (CIS) spectra of the alloys along with two resonances ($R1$ and $R2$) which are similar to those observed in molybdenum. All the resonances show Fano-like line shapes. The asymmetry parameter $q$ of the resonances $R1$ and $R3$ of the alloys is observed to be large and negative. Our analysis suggests that the origin of large negative q is associated with phonon assisted inter band scattering between the Mo-like states and the narrow band that appeared due to the ETT.

cond-mat.supr-con↗

arXiv2019

Giant longitudinal negative magneto-resistance under perpendicular magnetic field in Bi$_{2-x}$Fe$_x$Se$_{3-x}$S$_x$ Topological insulators

The magnetic, magneto-transport and ARPES studies of Fe and S co-doped Bi2Se3 were investigated. With doping concentration magneto-resistance (MR) gradually decreases and for a certain doping concentration giant negative MR is observed which persists up to room temperature. Magnetic measurement indicates that the negative MR is observed when ferromagnetic ordering is induced with Fe doping. The magnetic ordering can be attributed with the RKKY interaction. Positive MR reappears with larger doping concentration which may be attributed to the decrease of FM ordering due to the turning off of the spin-orbit coupling leading to the destruction of non-trivial bulk state. This in-effect de-hybridizes the conduction band with the Fe spin. The ARPES data also indicates that above a critical doping concentration (x>0.09) the non-trivial bulk state is completely destroyed.

cond-mat.str-el↗

arXiv2018

An experimental and Ab-initio study of Electronic and Magnetic properties of FeGa3

Electronic structure of FeGa3 has been studied using experiments and ab-initio calculations. Magnetization measurements show that FeGa3 is inherently diamagnetic in nature. Our studies indicate that the previously reported magnetic moment on the Fe atoms in FeGa3 is not an intrinsic property of FeGa3, but is primarily due to the presence of disorder, defects, grain boundaries etc that break the symmetry about the Fe dimers. Analysis of the results obtained from magnetic measurements, photoelectron spectroscopy, Fe K-edge X-ray absorption near edge spectroscopy and ab-initio calculations clearly indicates that, the effects of on-site Coulomb repulsion between the Fe 3d electrons do not play any role in determining the electronic and magnetic properties of FeGa3. Detailed analysis of results of single crystal and poycrystalline FeGa3, helps to resolve the discrepancy in the electronic and magnetic properties in FeGa3 existing in the literature, consistently.

cond-mat.mtrl-sci↗

arXiv2018

Electronic structure of the Mo$_{1-x}$Re$_x$ alloys studied through resonant photoemission spectroscopy

We have studied the electronic structure of Mo rich Mo$_{1-x}$Re$_x$ alloys (0$\leq$ x $\leq$0.4) using valence band photoemission spectroscopy in the photon energy range 23-70 eV and density of states calculations. Comparison of the photoemission spectra with the density of states calculations suggests that with respect to the Fermi level $E_F$, the $d$ states lie mostly in the range 0 to -6 eV binding energy whereas $s$ states lie in the range -4 to -10 eV binding energy. We have observed two resonances in the photoemission spectra of each sample, one at about 35 eV photon energy and other at about 45 eV photon energy. Our analysis suggest that the resonance at 35 eV photon energy is related to the Mo $4p$-$5s$ transition and the resonance at 45 eV photon energy is related to the contribution from both the Mo $4p$-$4d$ transition (threshold: 42 eV) and Re $5p$-$5d$ transition (threshold: 46 eV). In the CIS plot, the resonance at 35 eV incident photon energy for binding energy features in the range of $E_F$ (B.E. = 0) to -5 eV becomes progressively less prominent with the increasing Re concentration $x$ and vanishes for $x>$ 0.2. The difference plots obtained by subtracting the valence band photoemission spectrum of Mo from that of Mo$_{1-x}$Re$_x$ alloys, measured at 47 eV photon energy, reveal that the Re $d$ like states appear near $E_F$ when Re is alloyed with Mo. These results indicate that interband $s$-$d$ interaction, which is weak in Mo, increases with the increasing $x$ and influences the nature of superconductivity in the alloys with higher $x$.

cond-mat.supr-con↗

arXiv2017

High pressure studies on properties of FeGa3: role of on-site coulomb correlation

High pressure X-ray diffraction measurements have been carried out on the intermetallic semiconductor FeGa$_3$ and the equation of state for FeGa$_3$ has been determined. First principles based DFT calculations within the GGA approximation indicate that although the unit cell volume matches well with the experimentally obtained value at ambient pressure, it is significantly underestimated at high pressures and the difference between them increases as pressure increases. GGA + U calculations with increasing values of U$_{Fe(3d)}$ (on-site Coulomb repulsion between the Fe 3d electrons) at high pressures, correct this discrepancy. Further, the GGA+U calculations also show that along with U$_{Fe(3d)}$, the Fe 3d band width also increases with pressure and around a pressure of 4 GPa, a small density of states appear at the Fermi level. High pressure resistance measurements carried out on FeGa$_3$ also clearly show a signature of an electronic transition. Beyond the pressure of 19.7 GPa, the diffraction peaks reduce in intensity and are not observable beyond $\sim$ 26 GPa, leading to an amorphous state.

cond-mat.mtrl-sci↗

arXiv2016

Giant Rashba effect at the topological surface of PrGe revealing antiferromagnetic spintronics

Rashba spin-orbit splitting in the magnetic materials opens up a new perspective in the field of spintronics. Here, we report a giant Rashba-type spin-orbit effect on PrGe [010] surface in the paramagnetic phase with Rashba coefficient α_R=5 eVÅ. Significant changes in the electronic band structure has been observed across the phase transitions from paramagnetic to antiferromagnetic (44 K) and from antiferromagnetic to the ferromagnetic ground state (41.5 K). We find that Pr 4f states in PrGe is strongly hybridized with the Pr 5d and Ge 4s-4p states near the Fermi level. The behavior of Rashba effect is found to be different in the k_x and the k_y directions showing electron-like and the hole-like bands, respectively. The possible origin of Rashba effect in the paramagnetic phase is related to the anti-parallel spin polarization present in this system. First-principles density functional calculations of Pr terminated surface with the anti-parallel spins shows a fair agreement with the experimental results. We find that the anti-parallel spins are strongly coupled to the lattice such that the PrGe system behaves like weak ferromagnetic system. Analysis of the energy dispersion curves at different magnetic phases showed that there is a competition between the Dzyaloshinsky-Moriya interaction and the exchange interaction which gives rise to the magnetic ordering in PrGe. Supporting evidences of the presence of Dzyaloshinsky-Moriya interaction are observed as anisotropic magnetoresistance with respect to field direction and first-order type hysteresis in the X-ray diffraction measurements. A giant negative magnetoresistance of 43% in the antiferromagnetic phase and tunable Rashba parameter with temperature across the magnetic transitions makes this material a suitable candidate for technological application in the antiferromagnetic spintronic devices.

cond-mat.mtrl-sci↗

arXiv2016

Structural and electronic properties of Fe(AlxGa1-x)3 system

FeGa3 is a well known d-p hybridization induced intermetallic bandgap semiconductor. In this work, we present the experimental and theoretical results on the effect of Al substitution in FeGa3, obtained by x-ray diffraction (XRD), temperature dependent resistance measurement, room temperature Mossbauer measurements and density functional theory based electronic structure calculations. It is observed that upto x = 0.178 in Fe(AlxGa1-x)3, which is the maximum range studied in this work, Al substitution reduces the lattice parameters 'a' and 'c' preserving the parent tetragonal P42/mnm crystal structure of FeGa3. The bandgap of Fe(AlxGa1-x)3 for x = 0.178 is reduced by ~ 24% as compared to FeGa3. Rietveld refinement of the XRD data shows that the Al atoms replace Ga atoms located at the 8j sites in FeGa3. A comparison of the trends of the lattice parameters and energy bandgap observed in the calculations and the experiments also confirms that Al primarily replaces the Ga atoms in the 8j site.

cond-mat.mtrl-sci↗

arXiv2016

Electronic Structure of FeAl Alloy Studied by Resonant Photoemission Spectroscopy and Ab Initio Calculations

Resonant photoemission spectroscopy has been used to investigate the character of Fe 3d states in FeAl alloy. Fe 3d states have two different character, first is of itinerant nature located very close to the Fermi level, and second, is of less itinerant (relatively localized character), located beyond 2 eV below the Fermi level. These distinct states are clearly distinguishable in the resonant photoemission data. Comparison between the results obtained from experiments and first principle based electronic structure calculation show that the origin of the itinerant character of the Fe 3d states is due to the ordered B2 structure, whereas the relatively less itinerant (localized) Fe 3d states are from the disorders present in the sample. The exchange splitting of the Fe 3s core level peak confirms the presence of local moment in this system. It is found that the itinerant electrons arise due to the hybridization between Fe 3d and Al 3s-3p states. Presence of hybridization is observed as a shift in the Al 2p core-level spectra as well as in the X-ray near edge absorption spectra towards lower binding energy. Our photoemission results are thus explained by the co-existence of ordered and disordered phases in the system.

cond-mat.mtrl-sci↗

arXiv2014

Estimate of the Coulomb Correlation Energy in CeAg$_2$Ge$_2$ from Inverse Photoemission and High Resolution Photoemission Spectroscopy

The occupied and the unoccupied electronic structure of CeAg$_2$Ge$_2$ single crystal has been studied using high resolution photoemission and inverse photoemission spectroscopy respectively. High resolution photoemission reveals the clear signature of Ce $4f$ states in the occupied electronic structure which was not observed earlier due to the poor resolution. The coulomb correlation energy in this system has been determined experimentally from the position of the $4f$ states above and below the Fermi level. Theoretically the correlation energy has been determined by using the first principles density functional calculations within the generalized gradient approximations taking into account the strong intra-atomic (on-site) interaction Hubbard $U_{eff}$ term. Although the valence band calculated with different $U_{eff}$ does not show significant difference, but the substantial changes are observed in the conduction band. The estimated value of correlation energy from both the theory and the experiment is $\approx$4.2~eV for CeAg$_2$Ge$_2$.

cond-mat.mtrl-sci↗