arXiv subjects

S. Mishra

Publications and source records attributed to S. Mishra.

At least 19 recordsLinked to original sources

arXiv2026

Effective masses, Burstein-Moss shift, and bandgap renormalization in degenerate Al-doped ZnO from broadband ellipsometry and Hall measurements

A comprehensive methodology is developed to extract electron and hole effective masses in degenerate semiconductors through a simultaneous global fit of carrier concentration dependence of bandgap and plasma energy, explicitly incorporating band nonparabolicity. Broadband spectroscopic ellipsometry combined with Hall effect analyses enables accurate determination of the bandgap, plasma energy and carrier concentrations. The dielectric function of sputtered Al-doped ZnO thin films are modeled in the fundamental absorption region using an Elliott based model with overlapping excitonic transitions and Urbach tails, while free carrier absorption is described by a modified sernelius formula. Wide carrier concentrations are achieved via controlled deposition and post-annealing, revealing changes in electron effective masses and deviations from parabolic dispersion. Two nonparabolic models are compared, Pisarkiewicz, assuming spherically symmetric band with a step-function approximation of the Fermi-Dirac distribution and Nilsson, incorporating thermal and impurity effects. The latter is shown to capture accurately band nonparabolicity, yielding effective masses and nonparabolicity parameter consistent with bandgap evolution. This approach quantitatively separates Burstein-Moss shift and bandgap renormalization, reproducing carrier dependent bandgap shifts across a wide concentration range. Neglecting valence band contributions introduces systematic bias. Bandgap renormalization is further evaluated using plasmon pole and random phase approximations, underscoring the importance of many-body screening. This framework also enables determination of the Mott critical concentration and the fundamental absorption edge onset. Collectively, these results establish a reliable methodology for extracting band-structure parameters and bandgap shifts, extendable to other transparent conducting oxides.

cond-mat.mtrl-sci↗

arXiv2025

On the crystalline environment of luminescent Tb$^{3+}$ ions embedded in indium tin oxide thin films: a DFT and Crystal field analysis assessment

We assess the local symmetry and crystal environment of trivalent terbium ions embedded in an indium tin oxide (ITO) matrix with bixbyite structure. The \mbox{Tb$^{3+}$} ions tend to substitute \mbox{In$^{3+}$} ions in two different cationic sites ($b$ and $d$). Density Functional Theory (DFT) calculations suggest that the \mbox{Tb$^{3+}$} ions are mainly located at $C_2$ symmetry sites relaxing selection rules and enabling electric dipole transitions, with the $^5\text{D}_4\rightarrow\leftindex^7{\text{F}}_2$ transition being the most intense, providing a red color to the light emission. Photoluminescence emission spectra under UV excitation at \qty{83}{\kelvin} revealed 30 intra-4$f$ transitions, which were assigned to the $\leftindex^7{\text{F}}_J$ ground multiplet of the \mbox{Tb$^{3+}$} ion. Crystal-field analysis shows a strong alignment between calculated and observed energy levels, yielding a standard deviation of $\sigma=\qty{15.1}{\centi\per\metre}$. We believe these results can help to understand the activation mechanisms of \mbox{Tb$^{3+}$} luminescent centers in transparent conductive oxides, as well as the potential to modulate \mbox{Tb$^{3+}$} emission color through its crystalline environment.

cond-mat.mtrl-sci↗

arXiv2025

Approximation Theory and Applications of Randomized Neural Networks for Solving High-Dimensional PDEs

We present approximation results and numerical experiments for the use of randomized neural networks within physics-informed extreme learning machines to efficiently solve high-dimensional PDEs, demonstrating both high accuracy and low computational cost. Specifically, we prove that RaNNs can approximate certain classes of functions, including Sobolev functions, in the $H^2$-norm at dimension-independent convergence rates, thereby alleviating the curse of dimensionality. Numerical experiments are provided for the high-dimensional heat equation, the Black-Scholes model, and the Heston model, demonstrating the accuracy and efficiency of randomized neural networks.

math.NA↗

arXiv2024

Pressure-dependent Electronic Superlattice in the Kagome-Superconductor CsV$_3$Sb$_5$

We present a high-resolution single crystal x-ray diffraction study of kagome-superconductor \cvs, exploring its response to variations in pressure and temperature. We discover that at low temperatures, the structural modulations of the electronic superlattice, commonly associated with charge-density-wave order, undergo a transformation around $p \sim$ 0.7 GPa from the familiar $2\times2$ pattern to a long-range-ordered modulation at wavevector $q=(0, 3/8, 1/2)$. Our observations align with inferred changes in the CDW pattern from prior transport and nuclear-magnetic-resonance studies, providing new insights into these transitions. Interestingly, the pressure-induced variations in the electronic superlattice correlate with two peaks in the superconducting transition temperature as pressure changes, hinting that fluctuations within the electronic superlattice could be key to stabilizing superconductivity. However, our findings contrast with the minimal pressure dependency anticipated by ab initio calculations of the electronic structure. They also challenge prevailing scenarios based on a Peierls-like nesting mechanism involving van Hove singularities.

cond-mat.supr-con↗

arXiv2024

Phase-Field Modeling of Fracture with Physics-Informed Deep Learning

We explore the potential of the deep Ritz method to learn complex fracture processes such as quasistatic crack nucleation, propagation, kinking, branching, and coalescence within the unified variational framework of phase-field modeling of brittle fracture. We elucidate the challenges related to the neural-network-based approximation of the energy landscape, and the ability of an optimization approach to reach the correct energy minimum, and we discuss the choices in the construction and training of the neural network which prove to be critical to accurately and efficiently capture all the relevant fracture phenomena. The developed method is applied to several benchmark problems and the results are shown to be in qualitative and quantitative agreement with the finite element solution. The robustness of the approach is tested by using neural networks with different initializations.

physics.app-ph↗

arXiv2023

The Lorenz ratio as a guide to scattering contributions to Planckian transport

In many physical situations in which many-body assemblies exist at temperature $T$, a characteristic quantum-mechanical time scale of approximately $\hbar/k_{B}T$ can be identified in both theory and experiment, leading to speculation that it may be the shortest meaningful time in such circumstances. When this behaviour is investigated by probing the scattering rate of strongly interacting electrons in metals, it is clear that in some cases only electron-electron scattering can be its cause, while in others it arises from high-temperature scattering of electrons from quantised lattice vibrations, i.e. phonons. In metallic oxides, which are among the most studied materials, analysis of electrical transport does not satisfactorily identify the relevant scattering mechanism at 'high' temperatures near room temperature. We employ a contactless optical method to measure thermal diffusivity in two Ru-based layered perovskites, Sr$_3$Ru$_2$O$_7$ and Sr$_2$RuO$_4$, and use the measurements to extract the dimensionless Lorenz ratio. By comparing our results to the literature data on both conventional and unconventional metals we show how the analysis of high-temperature thermal transport can both give important insight into dominant scattering mechanisms, and be offered as a stringent test of theories attempting to explain anomalous scattering.

cond-mat.str-el↗

arXiv2023

The fate of time-reversal symmetry breaking in UTe2

Topological superconductivity is a long-sought state of matter in bulk materials, and odd-parity superconductor UTe$_2$ is a prime candidate. The recent observation of a field-trainable spontaneous Kerr signal in UTe$_2$ at the onset of superconductivity provides strong evidence that the superconducting order parameter is multicomponent and breaks time-reversal symmetry. Here, we perform Kerr effect measurements on a number of UTe$_2$ samples -- grown $via$ both chemical vapor transport and the molten-salt-flux methods -- that show a single superconducting transition between 1.6~K and 2.1~K. Our results show no evidence for a spontaneous Kerr signal in zero field measurements. This implies that the superconducting state of UTe$_2$ does not intrinsically break time-reversal symmetry. Instead, we observe a field-trainable signal that varies in magnitude between samples and between different locations on a single sample, which is a sign of inhomogeneous magnetic regions. Our results provide an examination of representative UTe$_2$ samples and place strong constraints on the superconducting order parameter of UTe$_2$.

cond-mat.supr-con↗

arXiv2023

A spatially resolved optical method to measure thermal diffusivity

We describe an optical method to directly measure position-dependent thermal diffusivity of reflective single crystal samples across a broad range of temperatures for condensed matter physics research. Two laser beams are used, one as a source to locally modulate the sample temperature, and the other as a probe of sample reflectivity, which is a function of the modulated temperature. Thermal diffusivity is obtained from the phase delay between source and probe signals. We combine this technique with a microscope setup in an optical cryostat, in which the sample is placed on a 3-axis piezo-stage, allowing for spatially resolved measurements. Furthermore, we demonstrate experimentally and mathematically that isotropic in-plane diffusivity can be obtained when overlapping the two laser beams instead of separating them in the traditional way, which further enhances the spatial resolution to a micron scale, especially valuable when studying inhomogeneous or multidomain samples. We discuss in detail the experimental conditions under which this technique is valuable, and demonstrate its performance on two stoichiometric bilayer ruthenates: Sr3Ru2O7 and Ca3Ru2O7. The spatial resolution allowed us to study the diffusivity in single domains of the latter, and we uncovered a temperature-dependent in-plane diffusivity anisotropy. Finally, we used the enhanced spatial resolution enabled by overlapping the two beams to measure temperature-dependent diffusivity of Ti-doped Ca3Ru2O7, which exhibits a metal-insulator transition. We observed large variations of transition temperature over the same sample, originating from doping inhomogeneity, and pointing to the power of spatially resolved techniques in accessing inherent properties.

cond-mat.str-el↗

arXiv2022

Bouncing cosmological models in a functional form of F(R) gravity

We have investigated some bouncing cosmological models in an isotropic and homogeneous space time with the F(R) theory of gravity. Two functional forms of F(R) have been investigated with a bouncing scale factor. The dynamical parameters are derived and analysed along with the cosmographic parameters. The analysis in both the models show the occurrence of bouncing scenario. The violation of strong energy conditions in both models is also shown. In the stability point of view we have analysed the behaviour of F_R = dF/dR with respect to cosmic time and both the models exhibit stable behaviour.

gr-qc↗

arXiv2022

Field-angle dependence reveals odd-parity superconductivity in CeRh$_2$As$_2$

CeRh$_2$As$_2$ is an unconventional superconductor with multiple superconducting phases and $T_\mathrm{c} = 0.26$ K. When $H\parallel c$, it shows a field-induced transition at $μ_0H^* = 4$ T from a low-field superconducting state SC1 to a high-field state SC2 with a large critical field of $μ_0H_\mathrm{c2} = 14$ T. In contrast, for $H\perp c$, only the SC1 with $μ_0H_\mathrm{c2} = 2$ T is observed. A simple model based on the crystal symmetry was able to reproduce the phase-diagrams and their anisotropy, identifying SC1 and SC2 with even and odd parity superconducting states, respectively. However, additional orders were observed in the normal state which might have an influence on the change of the superconducting state at $H^*$. Here, we present a comprehensive study of the angle dependence of the upper critical fields using magnetic ac-susceptibility, specific heat and torque on single crystals of CeRh$_2$As$_2$. The experiments show that the state SC2 is strongly suppressed when rotating the magnetic field away from the $c$ axis and it disappears for an angle of 35$^{\circ}$. This behavior agrees perfectly with our extended model of a pseudospin triplet state with $\vec{d}$ vector in the plane and hence allows to nail down that SC2 is indeed the suggested odd-parity state.

cond-mat.supr-con↗

arXiv2021

Possible quadrupole density wave in the superconducting Kondo lattice CeRh2As2

CeRh2As2 has recently been reported to be a rare case of multi-phase unconventional superconductor [S. Khim et al., arXiv:2101.09522] close to a quantum critical point (QCP). Here, we present a comprehensive study of its normal state properties and of the phase (I) below To ~ 0.4 K which preempts superconductivity at Tc = 0.26 K. The 2nd-order phase transition at To presents signatures in specific heat and thermal expansion, but none in magnetization and ac-susceptibility, indicating a non-magnetic origin of phase I. In addition, an upturn of the in-plane resistivity at To points to a gap opening at the Fermi level in the basal plane. Thermal expansion indicates a strong positive pressure dependence of To , dTo/dp = 1.5 K/GPa, in contrast to the strong negative pressure coefficient observed for magnetic order in Ce-based Kondo lattices close to a QCP. Similarly, an in-plane magnetic field shifts To to higher temperatures and transforms phase I into another non-magnetic phase (II) through a 1st-order phase transition at about 9 T. Using renormalized band structure calculations, we found that the Kondo effect (TK ~ 30 K) leads to substantial mixing of the excited crystalline-electric-field (CEF) states into the ground state. This allows quadrupolar degrees of freedom in the resulting heavy bands at the Fermi level which are prone to nesting. The huge sensitivity of the quadrupole moment on hybridization together with nesting would cause an unprecedented case of phase transition into a quadrupole-density-wave (QDW) state at a temperature To << TK , which would explain the nature of phase I and II.

cond-mat.str-el↗

arXiv2021

Origin of the 30 T transition in CeRhIn$_5$ in tilted magnetic fields

We present a comprehensive ultrasound study of the prototypical heavy-fermion material CeRhIn$_5$, examining the origin of the enigmatic 30 T transition. For a field applied at 2$^\circ$ from the $c$ axis, we observed two sharp anomalies in the sound velocity, at $B_m \approx$ 20 T and $B^* \approx$ 30 T, in all the symmetry-breaking ultrasound modes at low temperatures. The lower-field anomaly corresponds to the well-known first-order metamagnetic incommensurate-to-commensurate transition. The higher-field anomaly takes place at 30 T, where an electronic-nematic transition was previously suggested to occur. Both anomalies, observed only within the antiferromagnetic state, are of similar shape, but the corresponding changes of the ultrasound velocity have opposite signs. Based on our experimental results, we suggest that a field-induced magnetic transition from a commensurate to another incommensurate antiferromagnetic state occurs at $B^*$. With further increasing the field angle from the $c$ axis, the anomaly at $B^*$ slowly shifts to higher fields, broadens, and becomes smaller in magnitude. Traced up to 30$^\circ$ from the $c$ axis, it is no longer observed at 40$^\circ$ below 36 T.

cond-mat.str-el↗

arXiv2021

Hydrothermal Synthesis of Carbon and Sulfur Mono-Doped Sodium Tantalates

A set of experiments was conducted to synthesize doped and undoped sodium tantalates with carbon and sulfur in energy efficient single-step hydrothermal process. Undoped sodium tantalate nanocubes were synthesized at 140$^\circ$C and doped one at 180$^\circ$C for 12 hours in rich alkaline atmosphere. The sizes of undoped, carbon-doped, and sulfur-doped sodium tantalate nanocubes were 38 nm, 45 nm, and 40 nm, respectively. The morphological, elemental, compositional, structural, thermal, and photophysical properties of as-synthesized doped and undoped sodium tantalate (NaTaO$_3$) were characterized using scanning electron microscope (SEM), energy dispersive x-ray spectroscope (EDS), Raman spectroscopy, X-ray powder diffraction (XRD), thermal gravimetric analysis (TGA), Fourier transform infrared spectrophotometer (FTIR), and UV-vis spectrophotometer. The sulfur doped NaTaO$_3$ shows a higher photocatalytic activity in degradation of methylene blue than carbon doped and the undoped NaTaO$_3$. The band gaps of undoped NaTaO$_3$, carbon doped c-NaTaO$_3$, and sulfur doped s-NaTaO$_3$ were calculated to be 3.94 eV, 3.8 eV, and 3.52 eV, respectively using Tauc plot.

cond-mat.mtrl-sci↗

arXiv2021

Specific heat of CeRhIn$_5$ in high magnetic fields: Magnetic phase diagram revisited

CeRhIn$_5$ is a prototypical antiferromagnetic heavy-fermion compound, whose behavior in a magnetic field is unique. A magnetic field applied in the basal plane of the tetragonal crystal structure induces two additional phase transitions. When the magnetic field is applied along, or close to, the $c$ axis, a new phase characterized by a pronounced in-plane electronic anisotropy emerges at $B^* \approx$ 30 T, well below the critical field, $B_c \simeq$ 50 T, to suppress the antiferromagnetic order. The exact origin of this new phase, originally suggested to be an electronic-nematic state, remains elusive. Here we report low-temperature specific-heat measurements in CeRhIn$_5$ in high static magnetic fields up to 36 T applied along both the $a$ and $c$ axes. For fields applied along the $a$ axis, we confirmed the previously suggested phase diagram, and extended it to higher fields. This allowed us to observe a triple point at $\sim$ 30 T, where the first-order transition from an incommensurate to commensurate magnetic structure merges into the onset of the second-order antiferromagnetic transition. For fields applied along the $c$ axis, we observed a small but distinct anomaly at $B^*$, which we discuss in terms of a possible field-induced transition, probably weakly first-order. We further suggest that the transition corresponds to a change of magnetic structure. We revise magnetic phase diagrams of CeRhIn$_5$ for both principal orientations of the magnetic field based entirely on thermodynamic anomalies.

cond-mat.str-el↗

arXiv2021

Robust Fermi-Surface Morphology of CeRhIn$_5$ across the Putative Field-Induced Quantum Critical Point

We report a comprehensive de Haas--van Alphen (dHvA) study of the heavy-fermion material CeRhIn$_5$ in magnetic fields up to 70~T. Several dHvA frequencies gradually emerge at high fields as a result of magnetic breakdown. Among them is the thermodynamically important $β_1$ branch, which has not been observed so far. Comparison of our angule-dependent dHvA spectra with those of the non-$4f$ compound LaRhIn$_5$ and with band-structure calculations evidences that the Ce $4f$ electrons in CeRhIn$_5$ remain localized over the whole field range. This rules out any significant Fermi-surface reconstruction, either at the suggested nematic phase transition at $B^{*}\approx$ 30~T or at the putative quantum critical point at $B_c \simeq$ 50~T. Our results rather demonstrate the robustness of the Fermi surface and the localized nature of the 4$f$ electrons inside and outside of the antiferromagnetic phase.

cond-mat.str-el↗

arXiv2020

Higher-order Quasi-Monte Carlo Training of Deep Neural Networks

We present a novel algorithmic approach and an error analysis leveraging Quasi-Monte Carlo points for training deep neural network (DNN) surrogates of Data-to-Observable (DtO) maps in engineering design. Our analysis reveals higher-order consistent, deterministic choices of training points in the input data space for deep and shallow Neural Networks with holomorphic activation functions such as tanh. These novel training points are proved to facilitate higher-order decay (in terms of the number of training samples) of the underlying generalization error, with consistency error bounds that are free from the curse of dimensionality in the input data space, provided that DNN weights in hidden layers satisfy certain summability conditions. We present numerical experiments for DtO maps from elliptic and parabolic PDEs with uncertain inputs that confirm the theoretical analysis.

math.NA↗

arXiv2020

On the conservation of energy in two-dimensional incompressible flows

We prove the conservation of energy for weak and statistical solutions of the two-dimensional Euler equations, generated as strong (in an appropriate topology) limits of the underlying Navier-Stokes equations and a Monte Carlo-Spectral Viscosity numerical approximation, respectively. We characterize this conservation of energy in terms of a uniform decay of the so-called structure function, allowing us to extend existing results on energy conservation. Moreover, we present numerical experiments with a wide variety of initial data to validate our theory and to observe energy conservation in a large class of two-dimensional incompressible flows.

math.AP↗

arXiv2020

Pre-saturation phase in the frustrated ferro-antiferromagnet Pb$_2$VO(PO$_4$)$_2$

Magnetization, magnetic torque, neutron diffraction and NMR experiments are used to map out the $H$$-$$T$ phase diagram of the prototypical quasi-two-dimensional ferro-antiferromagnet Pb$_2$VO(PO$_4$)$_2$ in magnetic fields up to 27 T. When the field is applied perpendicular to the axis of magnetic anisotropy, a new magnetic state emerges through a discontinuous transition and persists in a narrow field range just below saturation. The measured NMR spectra suggest a complex and possibly incommensurate magnetic order in that regime.

cond-mat.str-el↗