Pressure effects in metallic ferroelectrics
Project Description:
Ferroelectric materials are usually insulating. Recently a ferroelectric-like structural distortion was found in a metal LiOsO3 , which has attracted enormous investigations in theory and experiment . In this project, we study how external pressure may influence the ferroelectric-like structural transition in LiOsO3 and compare the effects to its insulating counterpart LiNbO3. Our goal is to reveal differences and similarities of pressure effects on structural distortions in conventional (insulating) and unconventional (metallic) ferroelectrics and to establish a complete phase diagram.
Project Duration:
10/2017 to 08/2018
Project Significance:
Our goal is to reveal differences and similarities of pressure effects on structural distortions in conventional (insulating) and unconventional (metallic) ferroelectrics and to establish a complete phase diagram.
Remarks:
Using VASP to simulate different external pressure , and calculating Relaxation and Energy band of crystal structure.