arXiv subjects

Supratik Mukherjee

Publications and source records attributed to Supratik Mukherjee.

5 recordsLinked to original sources

arXiv2026

Pressure induced Electronic and Structural Transition in Ba$_2$NiTeO$_6$

This study explores the pressure evolution of the double perovskite Ba$_2$NiTeO$_6$ by employing experimental and computational techniques. For the study of structural and vibrational properties, synchrotron X-ray diffraction (XRD) and micro-Raman spectroscopic experiments at high-pressures were carried out. As a complementary study, DFT simulations of the structural properties as a function of pressure were performed to support and explain the experimental findings. Furthermore, the electronic and magnetic properties as a function of pressure were investigated using DFT. Our study reveals a structural phase transition from a rhombohedral $R\bar{3}m$ to a monoclinic $C2/m$ phase at high pressure, accompanied by a significant increase in bulk modulus. Certain anomalies were observed in Raman mode frequencies at lower pressures of about 1 GPa, indicating changes in the electronic structure with a modification from direct to indirect bandgap in the sample. A minimum in the Raman mode full-width-half-maximum (FWHM) at about 11 GPa, coincides with an increase in ordering in the sample, indicated by a drop in the distortion index of Ni-O$_6$ octahedra as well as a discontinuity in the $c/a$ ratio.

cond-mat.mtrl-sci↗

arXiv2023

Spin-phonon coupling suppressing the structural transition in perovskite-like oxide

Multifunctional properties in quantum systems require the interaction between different degrees of freedom. As such, spin-phonon coupling emerges as an ideal mechanism to tune multiferroicity, magnetism, and magnetoelectric response. In this letter, we demonstrate and explain, based on theoretical and experimental analyses, an unusual manifestation of spin-phonon coupling, i.e., prevention of a ferroelastic structural transition, and locking of high-temperature R-3m phase in a magnetically frustrated perovskite-like oxide Ba2NiTeO6. We present Ba2NiTeO6 as a prototype example among its family where long-range antiferromagnetic structure couples with a low-frequency Eg mode (at 55 cm-1) that exhibits a large anharmonicity. Our findings establish that spin-phonon coupling clearly suppresses the phonon anharmonicity preventing the structural phase transition from the R-3m to the C2/m phase in Ba2NiTeO6.

cond-mat.mtrl-sci↗

arXiv2022

Lattice dynamics across the ferroelastic phase transition in Ba2ZnTeO6: A Raman and first-principles study

Structural phase transitions drive several unconventional phenomena including some illustrious ferroic attributes which are relevant for technological advancements. With this note, we have investigated the structural transition of perovskite-type trigonal Ba2ZnTeO6, across Tc ~ 150 K, which is also accompanied by a para- to ferroelastic transition. With the help of Raman spectroscopy and density-functional theory (DFT)-based calculations, here we report new intriguing observations associated with the phase transition in Ba2ZnTeO6 elucidating the lattice dynamics across the Tc. We have observed the presence of a central peak (quasi-elastic Rayleigh profile), huge softening in the soft mode, hysteretic phonon behavior, and signatures of coexistent phases. The existence of a central peak in Ba2ZnTeO6 is manifested by a sharp rise in the intensity of the Rayleigh profile in concomitant with the damping of the soft mode near Tc, shedding light on the lattice dynamics during the phase transition. While most of the phonon bands split below Tc confirming the phase transition, we have observed thermal hysteretic behavior of phonon modes that signifies the first-order nature of the transition and presence of coexisting phases, which are corroborated by our temperature-dependent x-ray diffraction and specific heat measurements. Further, an evidence of the concomitant structural transition appears in the form of huge softening in the thermal response of the soft phonon mode at ~ 31 cm-1 which is remarkable compared to the hitherto known behavior of soft modes in well-known ferroelectrics. This is further corroborated by our phonon calculations that show an unstable Eg-mode in the high-symmetry structure involving TeO6 octahedral rotation (with Ba and Zn translation) which later condenses into the C2/m low-symmetry phase.

cond-mat.mtrl-sci↗

arXiv2020

Tri-Partite entanglement in Neutrino Oscillations

We investigate and quantify various measures of bipartite and tripartite entanglement in the context of two and three flavor neutrino oscillations. The bipartite entanglement is analogous to the entanglement swapping resulting from a beam splitter in quantum optics. For the three neutrino systems various measures of tripartite entanglement are explored. The significant result is that a monogamy inequality in terms of negativity leads to a residual entanglement, implying true tripartite entanglement in the three neutrino system. This leads us to an analogy of the three neutrino state with a generalized class of W-state in quantum optics.

hep-ph↗

arXiv2007

Use of Triangular Elements for Nearly Exact BEM Solutions

A library of C functions yielding exact solutions of potential and flux influences due to uniform surface distribution of singularities on flat triangular and rectangular elements has been developed. This library, ISLES, has been used to develop the neBEM solver that is both precise and fast in solving a wide range of problems of scientific and technological interest. Here we present the exact expressions proposed for computing the influence of uniform singularity distributions on triangular elements and illustrate their accuracy. We also present a study concerning the time taken to evaluate these long and complicated expressions \textit{vis a vis} that spent in carrying out simple quadratures. Finally, we solve a classic benchmark problem in electrostatics, namely, estimation of the capacitance of a unit square plate raised to unit volt. For this problem, we present the estimated values of capacitance and compare them successfully with some of the most accurate results available in the literature. In addition, we present the variation of the charge density close to the corner of the plate for various degrees of discretization. The variations are found to be smooth and converging. This is in clear contrast to the criticism commonly leveled against usual BEM solvers.

math.NA↗