Search icon

Density Functional Theory for Piezoelectric Device Modelling


A SIM Talk by Sarah Guerin will take place before lunch tomorrow Tuesday November 15th. The SIM Talk will consist of a 15 minute presentation followed by discussion.

Speaker:          Sarah Guerin, Department of Physics, University of Limerick

Topic:               Density Functional Theory for Piezoelectric Device Modelling

Time:               12.30p.m. Tuesday November 15th  

Location:         MACSI seminar room, A2-002

Short Abstract:     Piezoelectric sensors are in almost every phone, car and laboratory due to their ability to convert mechanical stress to electrical charge, and vice versa. Quantum mechanical modelling can provide a unique insight into the molecular origins of the so-called piezoelectric effect, and aid in the engineering of advanced piezoelectric devices. In this talk we discuss the modelling of organic piezoelectrics using density functional theory, and delve into both the technological and physiological implications of our data.