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Design Principles for Wurtzite-type Ferroelectrics

May 14, 2024

•Ferroelectrics (FEs) based on tetrahedral bonding such as wurtzite (Al,Sc)N, (Al,B)N, and (Zn,Mg)O alloys promise performance and semiconductor integration advantages over classic FEs.

Challenge: Known tetrahedral FEs require large electric fields for polarization reversal (coercive fields).

Approach: We performed a large-scale computational search to identify candidates for tetrahedral FEs; four compounds emerged as targets for further investigation and potential alloying.

Materials Design Rules: Our findings highlight the fundamental materials properties—bond ionicity and strength–that affect the magnitude of coercive fields in tetrahedral ferroelectrics and showed that the popular design rule (c/a lattice constant ratio) applies only within a given alloy, not across different compounds

Authors

Geoff Brennecka and Prashun Gorai (Colorado School of Mines)

Additional Materials

U.S. National Science Foundation and NSF DMREF, Materials for Our Future

This material is based upon work supported by the U.S. National Science Foundation Award No. 2015237. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the U.S. National Science Foundation. This site is maintained collaboratively by principal investigators with NSF DMREF awards, independent of the NSF.