Noise-Induced Modulation of Polaron Stability and Bandgap in Monolayer Transition Metal Dichalcogenides
摘要
This paper aims to investigate the effect of a noisy electric field on dynamic parameters of polaron in two-dimensional (2D) transition metal dichalcogenides (TMDs). We employ a theoretical framework based on the variational Lee-Low-Pines (LLP) method combined with a stochastic analysis of the noisy electric field. The dynamics are modeled by considering both longitudinal optical (LO) phonon of the crystal and surface optical (SO) induced by the polar substrates phonon interacting with electron and hole. The study reveals that noise significantly modifies the properties of the polaron: it increases their energies, reduces their lifetime and influences their mobility. The results also demonstrate that the studied 2D TMDs exhibit instantaneous negative values of the bandgap. However, this gap fluctuation, or transient closure, constitutes a dynamic instability induced by the correlated Ornstein–Uhlenbeck (OU) noise, rather than a structural or electronic phase transition in the thermodynamic sense of the term. We observe a highest mobility of polaronic entities in WS2. The present study provides deep insight into the role of the environment of the dielectric on dynamics parameters of 2D materials, highlighting the influence of noisy electric field on their physical properties.