arXiv subjects

Ajit K. Roy

Publications and source records attributed to Ajit K. Roy.

13 recordsLinked to original sources

arXiv2026

Impact of Disorder Dynamics and Multi-Domain Kinetics on the Sliding Ferroelectricity of CVD-Grown 3R-WSe2 Bilayers

Sliding ferroelectricity in van der Waals (vdW) layered systems has emerged as a promising route toward non-volatile nanoscale devices, where interlayer displacement in non-centrosymmetric bilayers generates an out-of-plane polarization. In particular, 3R-stacked bilayer transition metal dichalcogenides (TMDs) grown via chemical vapor deposition (CVD) have been shown to host such polarization due to broken inversion symmetry. However, a detailed investigation of the 2D ferroelectric (FE) properties of CVD-grown 2D films, particularly the role of intrinsic disorder, such as structural defects and domain structure, remains poorly understood. Here, we investigate the FE switching characteristics of CVD-grown 3R-stacked WSe2 using a graphene-based ferroelectric field-effect transistor (graphene-FE-FET) architecture, where graphene serves as a highly sensitive probe of induced charge modulation due to polarization switching of FEs. We show that the growth-induced structural disorder significantly impacts polarization switching, while multi-domain kinetics governs the evolution of the FE response. These findings provide important insights into the design and optimization of FE devices based on vdW materials.

cond-mat.mtrl-sci↗

arXiv2026

Three-Photon Saturable Absorption in Atomically Thin Phlogopite

Two-dimensional (2D) materials, due to their remarkable physical and chemical properties, hold significant potential for future optical and electrical applications. In this study, the synthesis of 2D phlogopite (magnesium-rich mica) via liquid-phase exfoliation (LPE) is reported using an efficient and scalable procedure. XRD structural analysis revealed a preferential orientation along the (033) plane, whereas AFM and SEM demonstrated a nanoscale thickness and homogeneous morphology. Optical characterisation by UV-Vis and Raman spectroscopy shows tuneable band gaps up to 4.52 eV for the exfoliated 2D phlogopite and distinct vibrational modes indicative of structural evolution. At intense laser conditions, three-photon saturable absorption (3PSA) behaviour was evidenced by light-modulated electrical property studies, which emphasise the potential for optical limiting, switching, and mode-locking applications. The present investigation indicates 2D phlogopite as a versatile material for next-generation optoelectronic devices of high-intensity light modulation.

physics.optics↗

arXiv2026

Alignment behavior of 2D diopsides (d-silicates) under the influence of an AC electric field

Controlling the alignment of two dimensional (2D) materials is crucial for optimizing their electronic and mechanical properties in next generation devices. This study explores how electric fields can manipulate the orientation of 2D diopside (CaMgSi2O6) flakes, a flexible silicate material, through a phenomenon called flexoelectricity, where applied voltage generates mechanical strain. We exfoliated diopside crystals into ultrathin flakes, placed them on microelectrodes, and used AC electric fields to induce alignment via acoustic strain. Raman spectroscopy showed that the flakes reoriented/realigned under the field, with vibrational peaks weakening most at high frequencies (10 MHz). Electrical tests revealed this alignment improves conductivity by 20-30%, as straightened flakes create better pathways for current flow. Fully atomistic molecular dynamics simulations further explained how these flakes naturally align on surfaces within picoseconds, matching our experimental observations. Together, these findings demonstrate a practical way to tune diopside properties using electric fields, opening doors for its use in flexible electronics, sensors, and energy devices.

cond-mat.mes-hall↗

arXiv2025

Nanoscale mechanics and ultralow Friction of natural 2D silicates: Biotite and Rhodonite

Two-dimensional (2D) silicates have emerged as a promising class of ultrathin materials, expanding the landscape of 2D systems beyond conventional van der Waals crystals. Their unique crystal chemistries and structural anisotropies make them attractive for applications ranging from sensors and flexoelectric devices to drug delivery and catalysis. To unlock their full potential, it is critical to understand their thickness-dependent mechanical properties within the family of 2D silicates. In this study, we investigate the nanomechanical and frictional behaviors of two structurally distinct natural silicates: layered Biotite and chain-structured Rhodonite. Using atomic force microscopy (AFM), we found that Rhodonite exhibits nearly ten times higher adhesion force and modulus response compared to Biotite. Despite this, Biotite demonstrates superior frictional performance, with ultrathin (5 nm) flakes showing a remarkably low coefficient of friction ($\sim 0.6 \times 10^{-3}$) versus Rhodonite ($\sim 3.6 \times 10^{-3}$). To further elucidate interlayer adhesion, density functional theory (DFT) calculations with Hubbard correction were employed. These findings offer valuable insights into the design and selection of 2D silicates for advanced mechanical and tribological applications.

cond-mat.mtrl-sci↗

arXiv2024

Non-thermal Magnetic Deicing Using Two-Dimensional Chromium Telluride

Two-dimensional (2D) chromium telluride Cr2Te3 exhibits strong ferromagnetic ordering with high coercivity at low temperatures and paramagnetic behaviour when approaching room temperature. The spin states of monolayer Cr2Te3 show ferromagnetic ordering in the ground state, and in-situ Raman analysis shows reversible structure transformation and hence a ferromagnetic to paramagnetic transition during low-temperature heating cycles (0 - 25 °C). The magnetic phase transition near room temperature in the 2D Cr2Te3 prompted the exploration of these layered materials for energy application. We demonstrate that the low-temperature ferromagnetic behavior can be used to magnetically deice material surfaces using an external magnetic source, avoiding the use of harsh chemicals and high temperatures. The hydrophobic nature and dipole interactions of H2O molecules with the surface of the 2D Cr2Te3 coating aid in the condensation of ice droplets formed on the surface. First-principles calculations also confirm the observed crystal structure, surface interaction, and magnetic properties of 2D Cr2Te3.

cond-mat.mtrl-sci↗

arXiv2021

Two-dimensional Cobalt Telluride as Piezo-tribogenerator

Two-dimensional (2D) materials have been shown to be efficient in energy harvesting. Here, we report utilization of waste heat to generate electricity via combined piezoelectric and triboelectric property of 2D Cobalt Telluride (CoTe2). The piezo-triboelectric nanogenerator (PTNG) produced an open-circuit voltage of ~5V under 1N force and the effect of temperature in the 305-363 K range shows a four-fold energy conversion efficiency improvement. The 2D piezo-tribogenerator shows excellent characteristics with a maximum voltage of ~10V, fast response time and high responsivity. Density functional theory was used to gain further insights and validation of the experimental results. Our results could lead to energy harvesting approaches using 2D materials from various thermal sources and dissipated waste heat from electronic devices.

physics.app-ph↗

arXiv2021

Magnetic Field Dependent Piezoelectricity in Atomically Thin Co$_2$Te$_3$

Two dimensional (2D) materials have received a surge in research interest due to their exciting range of properties. Here we show that 2D cobalt telluride (Co2Te3), successfully synthesized via liquid-phase exfoliation in an organic solvent, exhibits weak ferromagnetism and semiconducting behavior at room temperature. The magnetic field-dependent piezoelectric properties of 2D Co2Te3 sample show magneto-electric response of the material and a linear relationship between the output voltage and applied magnetic field. First-principles density functional theory (DFT) and ab initio molecular dynamics are used to explain these experimental results. Our work could pave the way for the development of 2D materials with coupled magnetism and piezoelectricity, leading to new applications in electromagnetics.

physics.app-ph↗

arXiv2021

Multifold enhancement in magnetization of atomically thin Cobalt Telluride

Magnetism in semiconductor two-dimensional (2D) materials is gaining popularity due to its potential application in memory devices, sensors, spintronic and biomedical applications. Here, 2D Cobalt Telluride (CoTe) has been synthesized from its bulk crystals using a simple and scalable liquid-phase exfoliation method. The atomically thin CoTe shows over four hundred times enhancement in its magnetic saturation values compared to the bulk form. The UV-Vis absorption spectra reveal superior absorption in the high energy region, suggesting a semiconducting nature. Furthermore, we explain bandgap and origin of high magnetic behavior by density functional theory (DFT) calculations. The 2D CoTe shows a larger magnetism compared to bulk CoTe due to the reduced coordination number of the surface atoms, shape anisotropy and surface charge effect.

physics.app-ph↗

arXiv2020

Zeolite-inspired 3d printed structures with enhanced mechanical properties

Specific strength (strength/density) is a crucial factor while designing high load bearing architecture in areas of aerospace and defence. Strength of the material can be enhanced by blending with high strength component or, by compositing with high strength fillers but both the options has limitations such as at certain load, materials fail due to poor filler and matrix interactions. Therefore, researchers are interested in enhancing strength of materials by playing with topology/geometry and therefore nature is best option to mimic for structures whereas, complexity limits nature mimicked structures. In this paper, we have explored Zeolite-inspired structures for load bearing capacity. Zeolite-inspired structure were obtained from molecular dynamics simulation and then fabricated via Fused deposition Modeling. The atomic scale complex topology from simulation is experimentally synthesized using 3D printing. Compressibility of as-fabricated structures was tested in different direction and compared with simulation results. Such complex architecture can be used for ultralight aerospace and automotive parts.

physics.app-ph↗

arXiv2020

Liquid-phase reinforced Metal matrix (LMM) composite with non-intuitive properties

Over the ages, efforts have been made to use composite design to reinforce metals and alloys in order to increase their strength and modulus. On the other hand, nature herself improves the strength, ductility, stiffness and toughness of materials by strengthening them with liquids having zero strength/modulus. Here, emulating nature, efforts have been made to develop a new class of tin based alloy/composite with liquid metal reinforcement (LMM). Based on thermodynamic calculations, a composition has been designed such that on melting and casting it forms a solid metal (tin solid solution) and the eutectic mixture remains in liquid form at room temperature. The composite structure named as LMM shows multifold improvement in hardness, strength, ductility, toughness and wear resistance as compared to conventional solder alloys. A Finite Element Method (FEM) based simulation shows strain distribution in the composite which results in the unique behavior. The LMM also shows a negative coefficient of thermal expansion which is further verified using in-situ microscopy and thermodynamic calculations.

physics.app-ph↗

arXiv2016

How to Characterize Thermal Transport Capability of 2D Materials Fairly? - Sheet Thermal Conductance and the Choice of Thickness

Ever since the discovery of the record-high thermal conductivity of single layer graphene, thermal transport capability of monolayer 2D materials has been under constant spotlight. Since thermal conductivity is an intensive property for 3D materials and the thickness of 2D materials is not well defined, different definitions of thickness in literature have led to ambiguity towards predicting thermal conductivity values and thus in understanding the heat transfer capability of different monolayer 2D materials. We argue that if conventional definition of thermal conductivity should be used as the quantity to compare the heat transfer capability of various monolayer 2D materials, then the same thickness should be used. Alternatively, to circumvent the problem of ambiguous thickness completely, we also suggest that a "sheet thermal conductance" to be defined as an intensive 2D material property when characterizing the heat transfer capability of 2D materials. When converting literature thermal conductivity values of monolayer materials to this new property, some new features that were not displayed when using different thicknesses show up.

cond-mat.mtrl-sci↗

arXiv2016

Hydrogenation of Penta-Graphene Leads to Unexpected Large Improvement in Thermal Conductivity

Penta-graphene (PG) has been identified as a novel 2D material with an intrinsic bandgap, which makes it especially promising for electronics applications. In this work, we use first-principles lattice dynamics and iterative solution of the phonon Boltzmann transport equation (BTE) to determine the thermal conductivity of PG and its more stable derivative - hydrogenated penta-graphene (HPG). As a comparison, we also studied the effect of hydrogenation on graphene thermal conductivity. In contrast to hydrogenation of graphene, which leads to a dramatic decrease in thermal conductivity (from 3590 to 1328 W/mK - a 63% reduction), HPG shows a notable increase in thermal conductivity (615 W/mK), which is 76% higher than that of PG (350 W/mK). The high thermal conductivity of HPG makes it more thermally conductive than most other semi-conducting 2D materials, such as the transition metal chalcogenides. Our detailed analyses show that the primary reason for the counter-intuitive hydrogenation-induced thermal conductivity enhancement is the weaker bond anharmonicity in HPG than PG. This leads to weaker phonon scattering after hydrogenation, despite the increase in the phonon scattering phase space. The high thermal conductivity of HPG may inspire intensive research around HPG and other derivatives of PG as potential materials for future nanoelectronic devices. The fundamental physics understood from this study may open up a new strategy to engineer thermal transport properties of other 2D materials by controlling bond anharmonicity via functionalization.

cond-mat.mtrl-sci↗

arXiv2013

Thermal properties of graphene: Fundamentals and applications

Graphene is a two-dimensional (2D) material with over 100-fold anisotropy of heat flow between the in-plane and out-of-plane directions. High in-plane thermal conductivity is due to covalent sp2 bonding between carbon atoms, whereas out-of-plane heat flow is limited by weak van der Waals coupling. Herein, we review the thermal properties of graphene, including its specific heat and thermal conductivity (from diffusive to ballistic limits) and the influence of substrates, defects, and other atomic modifications. We also highlight practical applications in which the thermal properties of graphene play a role. For instance, graphene transistors and interconnects benefit from the high in-plane thermal conductivity, up to a certain channel length. However, weak thermal coupling with substrates implies that interfaces and contacts remain significant dissipation bottlenecks. Heat flow in graphene or graphene composites could also be tunable through a variety of means, including phonon scattering by substrates, edges or interfaces. Ultimately, the unusual thermal properties of graphene stem from its 2D nature, forming a rich playground for new discoveries of heat flow physics and potentially leading to novel thermal management applications.

cond-mat.mtrl-sci↗