Date of Award
Master of Science
Thang Ba Hoang
The memristor is viewed as a promising material to store digital information and has analog applications that drew researchers’ attention. Researchers explored the possibilities of using memristors to simulate synapses in the human brain. WO3 is one of the materials that can make memristors. Based on the mechanism of memristors, we know the motion of defects in WO3 changes the Schottky barrier and the current; thus, it can make the switch between high resistance state, HRS, and low resistance state, LRS. This paper will explore vacancy diffusivity in WO3. In this research, we concentrate on the cubic and monoclinic structure of WO3. We use the first principle density functional theory or DFT, and hybrid DFT to calculate the formation energy of different charge states of oxygen vacancies in WO3 and plot the graph of Fermi level to find the charge state with the lowest formation energy conditions. We use the nudged elastic band method to get the energy barrier for the vacancies to migrate inside the structure.
dissertation or thesis originally submitted to the local University of Memphis Electronic Theses & dissertation (ETD) Repository.
Chen, Juan, "Calculations of Vacancy Diffusivity in WO3" (2020). Electronic Theses and Dissertations. 2105.