English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

180{\deg} domains walls (DWs) of Head-to-Head/Tail-to-Tail (H-H/T-T) type inferroelectric (FE) materials are of immense interest for a comprehensiveunderstanding of the FE attributes as well as harnessing them for newapplications. Our first principles calculation suggests that such DW formationin Hafnium Zirconium Oxide (HZO) based FEs depends on the unique attributes ofthe HZO unit cell, such as polar-spacer segmentation. Cross pattern of thepolar and spacer segments in two neighboring domains along the polarizationdirection (where polar segment of one domain aligns with the spacer segment ofanother) boosts the stability of such DWs. We further show that low density ofoxygen vacancies at the metal-HZO interface and high work function of metalelectrodes are conducive for T-T DW formation. On the other hand, high densityof oxygen vacancy and low work function of metal electrode favor H-H DWformation. Polarization bound charges at the DW get screened when band bendingfrom depolarization field accumulates holes (electrons) in T-T (H-H) DW. For acomprehensive understanding, we also investigate their FE nature and domaingrowth mechanism. Our analysis suggests that a minimum thickness criterion ofdomains has to be satisfied for the stability of H-H/T-T DW and switching ofthe domains through such DW formation.

Head-to-Head and Tail-to-Tail Domain Wall in Hafnium Zirconium Oxide: A First Principles Analysis of Domain Wall Formation and Energetics