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Full-Text Articles in Physical Sciences and Mathematics
Structural And Electronic Properties Of Few-Layer Monochalcogenides, Brandon Joel Miller
Structural And Electronic Properties Of Few-Layer Monochalcogenides, Brandon Joel Miller
Graduate Theses and Dissertations
This work discusses a new class of materials with novel properties that have only recently begun being studied. These materials are two-dimensional group IV-VI monochalcogenides, so named because they are formed from group IV (carbon group) and group VI (chalcogens) elements. These materials display several interesting physical properties such as ferroelasticity and ferroelectricity, and the contents within Chapters Two, Three, and Four concern a collaborative effort between theory and experiment between our group at the University of Arkansas and Dr. Kai Chang at the Max Planck Institute of Microstructure Physics in Halle, Germany in studying these properties. This thesis is …
Computational Design Of Two-Dimensional Transition Metal Dichalcogenide Alloys And Their Applications, John Douglas Cavin
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 …