Physical Sciences and Mathematics Commons^™

Electronic, Optical, And Magnetic Properties Of Novel Two-Dimensional Materials, Xiaobo Lu

Arts & Sciences Electronic Theses and Dissertations

The field of two-dimensional(2D) materials is experiencing rapid growth and attracting tremendous research interests within the condensed matter community due to its ultimate thickness dimension and unique physical properties. The consistently emerging novel 2D materials not only provide extraordinary intrinsic properties of their single layer and multi- layer structures but also exhibit fascinating responses to the tunable external conditions. The fertile contents and boundless possibilities of novel 2D materials make it one of the pivots of modern nanotechnology towards deepening the physics understanding and promising practical applications.

In the first part of the thesis, we reveal the distinct Stark effects …

Computational Design Of Two-Dimensional Transition Metal Dichalcogenide Alloys And Their Applications, John Douglas Cavin

Arts & Sciences Electronic Theses and Dissertations

The discovery of bronze as an alloy of copper and tin is arguably the earliest form of material design, dating back thousands of years. In contrast, two-dimensional materials are new to the 21st century. The research presented in this dissertation is at the intersection of alloying and two-dimensional materials. I specifically study a class of two-dimensional materials known as transition metal dichalcogenides (TMDCs). Because of the large number of transition metals, there are many combinations of TMDCs that can be alloyed, making experimental exploration of the phase space of possible alloys unwieldly. Instead, I have applied first-principles methods to study …