Physical Sciences and Mathematics Commons^™

Ab Initio Studies Of Structure And Properties Of Group-Iv Monochalcogenide Monolayers, Shiva Prasad Poudel

Graduate Theses and Dissertations

The goal of this dissertation is to study the structure of ferroelectric group-IV monochalcogenide monolayers (MMLs) and their material properties. This work also established a new buckled honeycomb phase of these monolayers. Chapter 1 serves as an introduction where the motivation for these studies is established. In chapter 2, I used eight different exchange-correlation functionals (XC) to study the structure of these 2D ferroelectrics and found that their properties are independent of the choice of XC functionals. These findings reveal that the ground-state ferroelectric unit cell can be described by only five independent parameters, whereas their paraelectric (square or rectangular) …

Design, Fabrication, And Characterization Of An Array Of Graphene Based Variable Capacitors, Millicent Nkirote Gikunda

Graduate Theses and Dissertations

Since it was first isolated and characterized in 2004, graphene has shown the potential for a technological revolution. This is due to its amazing physical properties such as high electrical conductivity, high thermal conductivity, and extreme flexibility. Freestanding graphene membranes naturally possesses an intrinsic rippled structure, and these ripples are in constant random motion even room temperatures. Occasionally, the ripples undergo spontaneous buckling (change of curvature from concave to convex and vice versa) and the potential energy associated with this is a double well potential. This movement of graphene is a potential source of vibrational energy.

In this dissertation, we …