First-Principles Exploration of MoirŽ Excitons
Abstract
The objectives of the project are three-fold: (1) Develop an accurate, efficient and robust first-principles framework to explore moirŽ excitons in twisted van der Waals heterostructures. (2) Tackle fundamental scientific problems essential to quantum information and optoelectronic applications relevant to the DoD mission. (3) Train next generation of materials scientists with diverse backgrounds and encourage them to pursue careers in STEM fields. More specifically, the PI proposes to develop a powerful and versatile first-principles framework that enables us to determine exciton band structure and exciton-phonon coupling for a large system (with hundreds of atoms). The framework also allows us to calculate optical adsorption, exciton charge density, excited state force and non-adiabatic coupling between excited states in solids. Based on the first-principles framework, we will address fundamental problems that are essential to (1) high-temperature Bose-Einstein condensation of moirŽ excitons in twisted transition metal dichalcogenides (TMD) bilayers; (2) defect- and strain-engineering of moirŽ excitons as single-photon emitters in twisted TMD bilayers; (3) tuning the dynamics of moirŽ excitons in excitonic transistors/devices. The project is ambitious, but if successful, it could lead to breakthroughs that lay the foundation for critical technologies (e.g., quantum information, spintronics, valleytronics, field-effect transistors, photovoltaics, photocatalysis, photodetectors, lasers, etc.) relevant to the DoD mission. The project will have important impacts on the education and training of students at California State University Northridge (CSUN). Designated as both a Minority-Serving Institution and Hispanic-Serving Institution, CSUN is one of the largest universities in the US and serves diverse student population in southern California. The PI will recruit students from underrepresented groups and involve them in the proposed research project. In addition, the PI will develop a graduate level course on ÒFundamentals of Quantum MaterialsÓ that will be integrated to the curriculum in the Physics and Materials Science programs at CSUN.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Jul 28, 2023
- Source ID
- W911NF2310205
Entities
People
- G. Lu
Organizations
- Army Contracting Command
- California State University, Northridge
- Office of the Secretary of Defense