title: Dynamic Phase Engineering of Bendable Transition Metal Dichalcogenide Monolayers.
abstract: Current interest in two-dimensional (2D) materials is driven in part by the ability to dramatically alter their optoelectronic properties through strain and phase engineering. A combination of these approaches can be applied in quasi-2D transition metal dichalcogenide (TMD) monolayers to induce displacive structural transformations between semiconducting (H) and metallic/semimetallic (T') phases. We classify such transformations in Group VI TMDs, and formulate a multiscale, first-principles-informed modeling framework to describe evolution of microstructural domain morphologies in elastically bendable 2D monolayers. We demonstrate that morphology and mechanical response can be controlled via application of strain either uniformly or through local probes to generate functionally patterned conductive T' domains. Such systems form dynamically programmable electromechanical 2D materials, capable of rapid local switching between domains with qualitatively different transport properties. This enables dynamic "drawing" of localized conducting regions in an otherwise semiconducting TMD monolayer, opening several interesting device-relevant functionalities such as the ability to dynamically "rewire" a device in real time.
authors.affiliation: Department of Mechanical and Aerospace Engineering, Princeton University , Princeton, New Jersey 08544, United States.
authors.forename: Joel
authors.initials: J
authors.lastname: Berry
authors.forename: Songsong
authors.initials: S
authors.lastname: Zhou
authors.forename: Jian
authors.initials: J
authors.lastname: Han
authors.forename: David J
authors.identifier: 0000-0001-6038-020X
authors.initials: DJ
authors.lastname: Srolovitz
authors.affiliation: Department of Mechanical and Aerospace Engineering, Princeton University , Princeton, New Jersey 08544, United States.
authors.forename: Mikko P
authors.identifier: 0000-0001-8459-7331
authors.initials: MP
authors.lastname: Haataja
keywords: 2D materials; dynamically programmable materials; multiscale modeling; phase field microelasticity; strain-induced structural transformations; transition metal dichalcogenides