arXiv subjects

Lilia M. Woods

Publications and source records attributed to Lilia M. Woods.

At least 19 recordsLinked to original sources

arXiv2026

Tuning of quantum nanoscaled friction within the Prandtl-Tomlinson model

Nanoscaled friction is a fundamental tribological phenomenon with complex behavior of its dynamical force. Here, we utilize the Prandtl-Tomlinson framework to investigate systematically the different means of control of the frictional force at the quantum and classical levels. It is found that the frictional dynamics can be controlled by the corrugation and characteristic length ratio parameters dependent upon properties of the nanoparticle-chain system. In addition to the stick-slip regime, other types of motion are uncovered, highlighting the richness of the frictional dynamics. The importance of Landau-Zener tunneling for the quantum motion is also analyzed. These findings provide valuable insights for interpreting experimental observations and controlling quantum frictional behavior in nanoscale systems.

quant-ph↗

arXiv2026

Quantum stick-slip motion in nanoscaled friction

Friction in atomistic systems is usually described by the classical Prandtl-Tomlinson model suitable for capturing the dragging force of a nanoparticle in a periodic potential. Here we consider the quantum mechanical version of this model in which the dissipation is facilitated by releasing heat to an external bath reservoir. The time evolution of the system is captured with the Liouville-von Neumann equation through the density matrix of the system in the Markov approximation. We examine several kinetic and dissipative properties of the nanoparticle by delineating classical vs quantum mechanical effects. We find that the Landau-Zener tunneling is a key factor in the overall reduction of the frictional dissipation when compared to the classical motion in which such tunneling is absent. Other regimes of motion, controlled by the corrugation parameter and other properties, are also found. This in-depth study analyzes the interplay between velocity, strength of interaction, and temperature to control the frictional {force} and provide useful guidelines for experimental data interpretation.

quant-ph↗

arXiv2026

Casimir interactions between two parallel graphene sheets carrying steady-state drift currents

We investigate the fluctuation-induced Casimir interactions between two parallel graphene sheets carrying steady-state drift currents. The graphene properties are modeled based on the shifted Fermi disk model to capture the non-equilibrium optical response of the system. We find that the drift current introduces a repulsive correction to the perpendicular to the layers Casimir interaction, thereby reducing the overall attractive force. Although the correction is repulsive, it does not overcome the underlying attraction between the layers. It also generates a lateral force that opposes the carrier flow direction. Both contributions are studied in terms of distance and drift velocity functionalities showing pathways for Casimir force control.

quant-ph↗

arXiv2026

Prediction of a measurable sign change in the Casimir force using a magnetic fluid

We demonstrate quantum levitation controlled by Casimir forces acting between a polystyrene surface and a Teflon-coated metallic substrate immersed in a mixture of Toluene and magnetite particles. This system experiences repulsion-attraction transitions in the Casimir interaction for distances where the effect is measurable. This Casimir trapping can be controlled by clever choices of metallic and ferrofluid materials, which are directly linked to the emergence of the trapping effect. Thermal and quantum contributions are investigated in detail, showing how the optical and magnetic properties of the ferrofluid and other materials affect the magnitude of the trapping and its distance range of observability.

quant-ph↗

arXiv2025

Phononic Casimir Effect in Planar Materials

The Phononic Casimir effect between planar objects is investigated by deriving a formalism from the quantum partition function of the system following multiscattering approach. This fluctuation-induced coupling is mediated by phonons modeled as an effective elastic medium. We find that excitations with three types of polarizations arise from the resolved boundary conditions, however the coupling is dominated by only one of these degrees of freedom due to exponential suppression effects in the other two. The obtained scaling laws and dependence on materials properties and temperature suggest effective pathways of interaction control. Scenarios of materials combinations are envisioned where the Phononic Casimir effect is of similar order as the standard Casimir interaction mediated by electromagnetic fluctuations.

quant-ph↗

arXiv2025

Radiative Heat Transfer and 2D Transition Metal Dichalcogenide Materials

Radiative heat transfer is of great interest from a fundamental point of view and for energy harvesting applications. This is a material dependent phenomenon where confined plasmonic excitations, hyperbolicity and other properties can be effective channels for enhancement, especially at the near field regime. Materials with reduced dimensions may offer further benefits of enhancement compared to the bulk systems. Here we study the radiative thermal power in the family of transition metal dichalcogenide monolayers in their H- and T-symmetries. For this purpose, the computed from first principles electronic and optical properties are then used in effective models to understand the emerging scaling laws for metals and semiconductors as well as specific materials signatures as control knobs for radiative heat transfer. Our combined approach of analytical modeling with properties from ab initio simulations can be used for other materials families to build a materials database for radiative heat transfer.

cond-mat.mes-hall↗

arXiv2025

Magnetism at the interface of $MoSe_2/V_2O_5$ heterostructures

Magnetism in doped transition metal dichalcogenide monolayers and van der Waals interfaced materials have motivated the search for sustainable magnetic states at the nanoscale with the prospect of building devices for spintronics applications. In this study, we report the existence of magnetism in a heterostructure made up of an $MoSe_2$ transition metal dichalcogenide monolayer and a $V_2O_5$ substrate. Using density functional theory simulations, we find that ferromagnetic ordering can be found in the $MoSe_2/V_2O_5$ heterostructure even though the individual components are nonmagnetic. By examining the electronic structure and magnetic properties of this system we find how the occurring ferromagnetism evolves if the transition metal dichalcogenide or the $V_2O_5$ substrate can host point defects. Our study suggests that the balance between charge transfer and spin reorganization can lead to interface magnetism in novel hybrid materials.

cond-mat.mtrl-sci↗

arXiv2025

Interface Magnetism in Vanadium-doped MoS$_2$/Graphene Heterostructures

Magnetism in two-dimensional materials is of great importance in discovering new physical phenomena and developing new devices at the nanoscale. In this paper, first-principles simulations are used to calculate the electronic and magnetic properties of heterostructures composed of Graphene and MoS$_2$ considering the influence of point defects and Vanadium doping. It is found that the concentration of the dopants and the types of defects can result in induced magnetic moments leading to ferromagnetically polarized systems with sharp interfaces. This provides a framework for interpreting the experimental observations of enhanced ferromagnetism in both MoS$_2$/Graphene and V-doped MoS$_2$/Graphene heterostructures. The computed electronic and spin polarizations give a microscopic understanding of the origin of ferromagnetism in these systems and illustrate how doping and defect engineering can lead to targeted property tunability. Our work has demonstrated that through defects engineering, ferromagnetism can be achieved in V-doped MoS$_2$/Graphene heterostructures, providing a potential way to induce magnetization in other TMDC/Graphene materials and opening new opportunities for their applications in nano-spintronics.

cond-mat.mtrl-sci↗

arXiv2025

Twisting in h-BN bilayers and their angle-dependent properties

In this paper, we systematically investigate the structural and electronic properties of twisted h-BN bilayers to understand the role of the twisting angle. Using first-principles methods with relaxation taken into account, we simulate h-BN bilayers with commensurate supercells with the smallest angle being $2.88^{\circ}$ until $60^{\circ}$. We find that the interlayer separation is not constant throughout each bilayer because of the various stacking patterns of AA, AA', AB, AB', and A'B throughout the layers, which also play a significant role in their unique charge redistribution. The calculations for the 110 generated structures show the existence of flat bands in several twisted h-BN bilayers, as well as the emergence of different trends in their properties as a function of the twist angle. These results are useful for establishing a systematic base line of registry-dependent relations for the development of more advanced computational methods to access incommensurate h-BN bilayers.

cond-mat.mtrl-sci↗

arXiv2025

Dissecting van der Waals interactions with Density Functional Theory -- Wannier-basis approach

A new scheme for the computation of dispersive interactions from first principles is presented. This cost-effective approach relies on a Wannier function representation compatible with density function theory descriptions. This is an electronic-based many-body method that captures the full electronic and optical response properties of the materials. It provides the foundation to discern van der Waals and induction energies as well as the role of anisotropy and different stacking patterns when computing dispersive interactions in systems. Calculated results for binding energies in benchmarked materials and layered materials, such as graphite, hBN, and MoS$_2$ give encouraging comparisons with available experimental data. Strategies for broadened computational descriptions of dispersive interactions are also discussed. Our investigation aims at stimulating new experimental studies to measure van der Waals energies in a wider range of materials, especially in layered systems.

cond-mat.mtrl-sci↗

arXiv2024

Phonon-assisted Casimir interactions between piezoelectric materials

The strong coupling between electromagnetic field and lattice oscillation in piezoelectric materials gives rise to phonon polariton excitations. Such quasiparticles open up new directions in modulating the ubiquitous Casimir force. Here by utilizing the generalized Born-Huang hydrodynamics model, three types of phonons in piezoelectrics are studied: longitudinal optical phonon, transverse optical phonon and phonon polariton. The phonon-electromagnetic coupling results in a complex set of Fresnel reflection matrices which prevents the utilization of the standard Lifshitz approach for calculating Casimir forces in the imaginary frequency domain. Our calculations are based on an approach within real frequency and finite temperatures, through which various regimes of the Casimir interaction are examined. Our study shows that piezoelectrics emerge as a set of materials where this ubiquitous force can be controlled via phonon properties for the first time. The Casimir interaction appears as a suitable means to distinguish between different types of surface phonon polaritons associated with different structural piezoelectric polytypes.

cond-mat.mes-hall↗

arXiv2024

Vanadium-Doped Molybdenum Disulfide Monolayers with Tunable Electronic and Magnetic Properties: Do Vanadium-Vacancy Pairs Matter?

Monolayers of molybdenum disulfide (MoS2) are the most studied two-dimensional (2D) transition-metal dichalcogenides (TMDs), due to its exceptional optical, electronic, and opto-electronic properties. Recent studies have shown the possibility of incorporating a small amount of magnetic transition metals (e.g., Fe, Co, Mn, V) into MoS2 to form a 2D dilute magnetic semiconductor (2D-DMS). However, the origin of the observed ferromagnetism has remained elusive, due to the presence of randomly generated sulfur vacancies during synthesis that can pair with magnetic dopants to form complex dopant-vacancy configurations altering the magnetic order induced by the dopants. By combining high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) imaging with first-principles density functional theory (DFT) calculations and magnetometry data, we demonstrate the critical effects of sulfur vacancies and their pairings with vanadium atoms on the magnetic ordering in V-doped MoS2 (V-MoS2) monolayers. Additionally, we fabricated a series of field effect transistors on these V-MoS2 monolayers and observed the emergence of p-type behavior as the vanadium concentration increased. Our study sheds light on the origin of ferromagnetism in V-MoS2 monolayers and provides a foundation for future research on defect engineering to tune the electronic and magnetic properties of atomically thin TMD-based DMSs.

cond-mat.mtrl-sci↗

arXiv2023

Upconversion of infrared light by graphitic micro-particles due to photo-induced structural modification

Recent reports of upconversion and white light emission from graphitic particles warrant an explanation of the physics behind the process. We offer a model, wherein the upconversion is facilitated by photo-induced electronic structure modification allowing for multi-photon processes. As per the prediction of the model, we experimentally show that graphite upconverts infrared light centered around 1.31~$μ$m to broadband white light centered around 0.85 $μ$m. Our results suggest that upconversion from shortwave infrared ($\sim$3~$μ$m) to visible region may be possible. Our experiments show that the population dynamics of the electronic states involved in this upconversion process occur in the timescale of milliseconds.

physics.optics↗

arXiv2023

Giant anisotropy and Casimir phenomena: the case of carbon nanotube metasurfaces

The Casimir interaction and torque are related phenomena originating from the exchange of electromagnetic excitations between objects. While the Casimir force exists between any types of objects, the materials or geometrical anisotropy drives the emergence of the Casimir torque. Here both phenomena are studied theoretically between dielectric films with immersed parallel single wall carbon nanotubes in the dilute limit with their chirality and collective electronic and optical response properties taken into account. It is found that the Casimir interaction is dominated by thermal fluctuations at sub-micron separations, while the torque is primarily determined by quantum mechanical effects. This peculiar quantum vs. thermal separation is attributed to the strong influence of reduced dimensionality and inherent anisotropy of the materials. Our study suggests that nanostructured anisotropic materials can serve as novel platforms to uncover new functionalities in ubiquitous Casimir phenomena.

quant-ph↗

arXiv2023

Confinement-Induced Nonlocality and Casimir Force in Transdimensional Systems

We study within the framework of the Lifshitz theory the long-range Casimir force for in-plane isotropic and anisotropic free-standing transdimensional material slabs. In the former case, we show that the confinement-induced nonlocality not only weakens the attraction of ultrathin slabs but also changes the distance dependence of the material-dependent correction to the Casimir force to go as $\sim\!1/\!\sqrt{l}$ contrary to the $\sim\!1/l$ dependence of that of the local Lifshitz force. In the latter case, we use closely packed array of parallel aligned single-wall carbon nanotubes in a dielectric layer of finite thickness to demonstrate strong orientational anisotropy and crossover behavior for the inter-slab attractive force in addition to its reduction with decreasing slab thickness. We give physical insight as to why such a pair of ultrathin slabs prefers to stick together in the perpendicularly oriented manner, rather than in the parallel relative orientation as one would customarily expect.

quant-ph↗

arXiv2023

Nonlinear effects in many-body van der Waals interactions

Van der Waals interactions are ubiquitous and they play an important role for the stability of materials. Current understanding of this type of coupling is based on linear response theory, while optical nonlinearities are rarely considered in this context. Many materials, however, exhibit strong optical nonlinear response, which prompts further evaluation of dispersive forces beyond linear response. Here we present a $\textit{Discrete Coupled Nonlinear Dipole}$ approach that takes into account linear and nonlinear properties of all dipolar nanoparticles in a given system. This method is based on a Hamiltonian for nonlinear dipoles, which we apply in different systems uncovering a complex interplay of distance, anisotropy, polarizibilities, and hyperpolarizabilities in the vdW energy. This investigation broadens our basic understanding of dispersive interactions, especially in the context of nonlinear materials.

cond-mat.mtrl-sci↗

arXiv2022

Enhanced Magnetism in Heterostructures with Transition-Metal Dichalcogenide Monolayers

Two-dimensional materials and their heterostructures have opened up new possibilities for magnetism at the nanoscale. In this study, we utilize first-principles simulations to investigate the structural, electronic, and magnetic properties of $\textrm{Fe}/\textrm{WSe}_2/\textrm{Pt}$ systems containing pristine, defective, or doped $\textrm{WSe}_2$ monolayers. The proximity effects of the ferromagnetic Fe layer are studied by considering defective and vanadium-doped $\textrm{WSe}_2$ monolayers. All heterostructures are found to be ferromagnetic, and the insertion of the transition-metal dichalcogenide results in a redistribution of spin orientation and an increased density of magnetic atoms due to the magnetized $\textrm{WSe}_2$. There is an increase in the overall total density of states at the Fermi level due to $\textrm{WSe}_2$; however, the transition-metal dichalcogenide may lose its distinct semiconducting properties due to the stronger than van der Waals coupling. Spin-resolved electronic structure properties are linked to larger spin Seebeck coefficients found in heterostructures with $\textrm{WSe}_2$ monolayers.

cond-mat.mtrl-sci↗

arXiv2022

Twisted bilayered graphenes at magic angles and Casimir interactions: correlation-driven effects

Twisted bilayered graphenes at magic angles are systems housing long ranged periodicity of Moiré pattern together with short ranged periodicity associated with the individual graphenes. Such materials are a fertile ground for novel states largely driven by electronic correlations. Here we find that the ubiquitous Casimir force can serve as a platform for macroscopic manifestations of the quantum effects stemming from the magic angle bilayered graphenes properties and their phases determined by electronic correlations. By utilizing comprehensive calculations for the electronic and optical response, we find that Casimir torque can probe anisotropy from the Drude conductivities in nematic states, while repulsion in the Casimir force can help identify topologically nontrivial phases in magic angle twisted bilayered graphenes.

cond-mat.mes-hall↗