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

Pure NaNbO$_{3}$ is an antiferroelectric material at room temperature thatirreversibly transforms to a ferroelectric polar state when subjected to anexternal electrical field or lattice strain. Experimentally, it has beenobserved that NaNbO$_{3}$ films grown on NdGaO$_{3}$ exhibit an electricalpolarization along the [001]$_{\mathrm{PC}}$ direction, whereas films onDyScO$_{3}$ substrates exhibit a polarization along the [011]$_{\mathrm{PC}}$direction. These effects have been attributed to the realization of differentlattice symmetries in the films due to the incorporation of lattice strainimposed by the use of oxide substrates with different lattice parameters.However, the underlying atomistic mechanisms of the resulting phase symmetry inthe films are hardly clear, given that NaNbO$_{3}$ features a diverse andcomplex phase diagram. In turn, these also impede a straightforward tailoringand optimization of the resulting macroscopic properties on differentsubstrates. To clarify this issue, we perform all-electron first-principlescalculations for several potential NaNbO$_{3}$ polymorphs under stress andstrain. The computed properties, including the ferroelectric polarization,reveal that an orthorhombic $Pmc2_{1}$ phase is realized on NdGaO$_{3}$substrates since this is the only phase with an out-of-plane polarization undera compressive strain. Conversely, the monoclinic $Pm$ phase is consistent forthe samples grown on DyScO$_{3}$ substrate, since this phase exhibits aspontaneous in-plane polarization along [011]$_{\mathrm{PC}}$ under tensilestrain.

Spontaneous polarization in NaNbO$_{3}$ film on NdGaO$_{3}$ and DyScO$_{3}$ substrates