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 Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

The effect of epitaxial strain on the phonon spectra, crystal structure,spontaneous polarization, dielectric, piezoelectric, and elastic properties of(001)-oriented ferroelectric (BaTiO$_3$)$_m$/(SrTiO$_3$)$_n$ superlattices ($m= n = {}$1-4) was studied using the first-principles density-functional theory.The ground state of free-standing superlattices is the monoclinic $Cm$ polarphase. Under the in-plane biaxial compressive strain, it transforms totetragonal $P4mm$ polar phase, and under the in-plane biaxial tensile strain,it transforms to orthorhombic $Amm2$ polar phase. When changing the in-planelattice parameter, a softening of several optical and acoustic modes appears atthe boundaries between the polar phases, and corresponding components ofdielectric, piezoelectric, and elastic tensors diverge critically. Thecomparison of the mixing enthalpy of disordered Ba$_{0.5}$Sr$_{0.5}$TiO$_3$solid solution modeled using two special quasirandom structures SQS-4 with themixing enthalpy of the superlattices reveals a tendency of theBaTiO$_3$-SrTiO$_3$ system to short-range ordering and shows that thesesuperlattices are thermodynamically quite stable.

Dielectric, piezoelectric, and elastic properties of BaTiO$_3$/SrTiO$_3$ ferroelectric superlattices from first principles