Physics Commons^™

First-Principles Study Of Structural And Optical Properties Of Novel Materials, Wenshen Song

Arts & Sciences Electronic Theses and Dissertations

Novel materials, including two-dimensional (2D) materials, ferroelectric materials, as well as hybrid perovskites materials, have attracted tremendous attention in recent years because of their unique structural symmetries and electronic structures. Among them, 2D materials, such as graphene, black phosphorene, and transition metal dichalcogenides (TMDs), etc., have great potentials for nanoelectronics and optical applications. Particularly, these 2D materials can sustain much larger strain than their bulk counterparts, making strain a unique and efficient tool to tune a wide range of properties of 2D structures. In the first part of this thesis, we explore how strain tunes quasiparticle energy and excitonic effects …