Starts 22 Sep 2022 11:00
Ends 22 Sep 2022 12:00
Central European Time
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CMSP Seminar (Atomistic Simulation Webinar Series): High throughput search of new ferroelectric phenomena and mechanisms
Hybrid Seminar
Luigi Stasi Seminar Room + via Zoom
Sebastian Reyes Lillo
(Universidad Andrés Bello, Chile)
(Universidad Andrés Bello, Chile)
Abstract:
Ferroelectric materials display a spontaneous and switchable electrical polarization with diverse technological applications. In this talk, I'll show current work to use chemical arguments, group theory, materials databases, and first principles calculations to perform high throughput searches of ferroelectrics with functional properties for information storage and solar energy conversion. We use the concept of ferroelectric mechanism to extent the Materials Project database and search for new ferromagnetic ferroelectrics and small band gap ferroelectrics. In addition, I'll discuss projects involving the use of point defects to develop new ferroelectric phenomena. This project is supported by ANID Fondecyt Regular grant number 1220986.
Ferroelectric materials display a spontaneous and switchable electrical polarization with diverse technological applications. In this talk, I'll show current work to use chemical arguments, group theory, materials databases, and first principles calculations to perform high throughput searches of ferroelectrics with functional properties for information storage and solar energy conversion. We use the concept of ferroelectric mechanism to extent the Materials Project database and search for new ferromagnetic ferroelectrics and small band gap ferroelectrics. In addition, I'll discuss projects involving the use of point defects to develop new ferroelectric phenomena. This project is supported by ANID Fondecyt Regular grant number 1220986.
Zoom registration link will be soon announced.