Date of Graduation
5-2023
Document Type
Thesis
Degree Name
Bachelor of Science in Physics
Degree Level
Undergraduate
Department
Physics
Advisor/Mentor
Barraza-Lopez, Salvador
Committee Member/Reader
Churchill, Hugh
Committee Member/Second Reader
Mantero, Paolo
Committee Member/Third Reader
Clay, Matt
Abstract
Two-dimensional (atomically thin) materials have been greatly explored in the last two decades since the exfoliation of graphene in 2004. Since then, many exotic material properties have been shown for these systems; these new properties often arise from certain crystal symmetries or lack thereof. One of interest is ferroelectricity in which a noncentrosymmetric crystal structure can lead to a switchable intrinsic electric dipole in our material. This can then lead to second-harmonic generation in which two photons enter a material at a given frequency and one photon exits the material at double the original frequency. The study presented here makes strides in developing an automated tool for calculating this second-harmonic generation for arbitrary crystalline materials.
Keywords
ferroelectric; two-dimensional; tight-binding; density functional theory
Citation
Roll, J. (2023). Automating the determination of tight-binding representations for two-dimensional ferroelectrics. Physics Undergraduate Honors Theses Retrieved from https://scholarworks.uark.edu/physuht/22
