Author ORCID Identifier:
Date of Graduation
9-2025
Document Type
Dissertation
Degree Name
Doctor of Philosophy in Physics (PhD)
Degree Level
Graduate
Department
Physics
Advisor/Mentor
Barraza-Lopez, Salvador
Committee Member
Hiro Nakamura
Second Committee Member
Huaxiang Fu
Third Committee Member
Pradeep Kumar
Keywords
DFT; elasticity; ferroelastic; ferroelectric; ferroic; ferromagnetic
Abstract
This thesis explores the role of mechanical properties and elastic couplings in freestanding paradigmatic ferroic monolayers within the framework of density functional theory. This dissertation is comprised of three interconnected published studies: (i) establishing the elastic behavior across a temperature-driven phase transition in SnSe monolayers; (ii) thermally-driven phase transitions in graphene-like silicene, germanene, and stanene, examining the structural stability and band gap occlusion; and (iii) magnetoelastic coupling in an Ising-like CrSiTe3 monolayer, focused on assessing magnetic contributions to the material stiffness by establishing a proper non-magnetic reference.
Citation
Davis, J. M. (2025). Ab initio studies on mechanical properties of freestanding ferroic monolayers. Graduate Theses and Dissertations Retrieved from https://scholarworks.uark.edu/etd/5863
