Bulletin of the American Physical Society
APS March Meeting 2021
Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA
Session P49: New Opportunities for Spin and Charge Control with α-RuCl3
3:00 PM–6:00 PM,
Wednesday, March 17, 2021
Sponsoring Unit: DCMP
Chair: Erik Henriksen, Washington University, St. Louis
Abstract: P49.00003 : Mismatched INterface Theory (MINT) and its integration into open-access database*
4:12 PM–4:48 PM
I will present a new theoretical ab initio framework for mismatched hetero-bilayers, Mismatched INterface Theory (MINT) , and its application to α-RuCl3 heterostructures. Furthermore, I will discuss our efforts to integrate MINT and other continuum theories that enable accurate modeling of charge transfer, strain, spin-orbit interactions, and magnetism of incommensurate interfaces with the open-access materialsproject.org. The integration will result in a versatile interface database tool that predicts charge transfer, strain, and other crucial parameters of an interface between two arbitrary materials.
 Gerber, E., Yao, Y., Arias, T. A. & Kim, E.-A. Phys. Rev. Lett. 124, 106804 (2020)
*The research presented in this talk was supported by the National Science Foundation (Platform for the Accelerated Realization, Analysis, and Discovery of Interface Materials (PARADIM)) under Cooperative Agreement No. DMR-1539918 and by the Cornell Center for Materials Research with funding from the NSF MRSEC program (DMR-1719875).
The American Physical Society (APS) is a non-profit membership organization working to advance the knowledge of physics.
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