Related papers: Spatial control of carrier capture in two-dimensio…
This paper presents an ab initio methodology to account for electron-phonon interactions in 2D materials, focusing on transition metal dichalcogenides (TMDCs). It combines density functional theory and maximally localized Wannier functions…
2D materials are considered a key element in the development of next-generation electronics (nanoelectronics) due to their extreme thickness in the nanometer range and unique physical properties. The ultrafast dynamics of photoexcited…
We investigate the controllability of quantum electrons trapped in a two-dimensional device, typically a MOS field-effect transistor. The problem is modeled by the Schr\"odinger equation in a bounded domain coupled to the Poisson equation…
The soft character of organic materials leads to strong coupling between molecular nuclear and electronic dynamics. This coupling opens the way to control charge transport in organic electronic devices by inducing molecular vibrational…
Transition metal dichalcogenides have been the primary materials of interest in the field of valleytronics for their potential in information storage, yet the limiting factor has been achieving long valley decoherence times. We explore the…
While tremendous success has been achieved to date in creating both single phase and composite magnetoelectric materials, the quintessential electric-field control of magnetism remains elusive. In this work, we demonstrate a linear…
Much effort has been made to modify the properties of transition metal dichalcogenide layers via their environment as a route to new functionalization. However, it remains a challenge to induce large electronic changes without chemically…
Optical properties of transition metal dichalcogenides monolayers are controlled by the Wannier-Mott excitons forming a series of $1s$, $2s$, $2p$,... hydrogen-like states. We develop the theory of the excited excitonic states energy…
The narrow ribbon of enhanced energetic neutral atom flux observed by the Interstellar Boundary Explorer (IBEX) spacecraft has prompted numerous ideas to explain its structure and properties. One of these ideas is the "neutral solar wind"…
Deterministic control of the layering configuration of two-dimensional quantum materials plays a central role in studying their emergent electronic properties. Here we demonstrate in-situ control over competing stacking configurations in…
Adsorbate engineering is a promising route for controlling the electronic properties of monolayer transition-metal dichalcogenide materials. Here, we study shallow bound states induced by charged adatoms on MoS$_2$ using large-scale…
Two-dimensional (2D) transition metal dichalcogenides (TMDs) have attracted considerable attention due to their tunable structural, electronic, and spin-related properties, particularly in the presence of point defects and molecular…
Semiconductor transition metal dichalcogenides (TMDs) have equivalent dynamics for their two spin/valley species. This arises from their energy-degenerated spin states, connected via time-reversal symmetry. When an out-of-plane magnetic…
We investigate 1D aperiodic multilayer microstructures in order to achieve near total absorption in preselected wavelengths in a graphene monolayer. Our structures are designed by a genetic optimization algorithm coupled to a transfer…
Conventional approaches to the capture of CO_2 by metal-organic frameworks focus on equilibrium conditions, and frameworks that contain little CO_2 in equilibrium are often rejected as carbon-capture materials. Here we use a statistical…
Layered transition metal dichalcogenides display a wide range of attractive physical and chemical properties and are potentially important for various device applications. Here we report the electronic transport and device properties of…
At the few-atom-thick limit, transition metal dichalcogenides (TMDs) exhibit a host of attractive electronic optical, and structural properties. The possibility to pattern these properties has a great impact on applied and fundamental…
We present a detailed and self-contained theoretical study of polarons in two-dimensional (2D) polar materials, which extends the classical macroscopic theory of Fr\"ohlich polarons to the 2D case. The theory is fully determined by…
An appropriate model Hamiltonian based formalism is proposed for a random adsorbate layer with arbitrary coverage and the ensuing two-dimensional band formation by metallic adsorbates in the monolayer regime. The coherent potential…
Superconductors at the atomic two-dimensional (2D) limit are the focus of an enduring fascination in the condensed matter community. This is because, with reduced dimensions, the effects of disorders, fluctuations, and correlations in…