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

Ferroelectric-based photovoltaics have shown great promise as a source ofrenewable energy, thanks to their in-built charge separation capability, yettheir efficiency is often limited by low charge carrier mobilities. In thiswork, we compare the photovoltaic prospects of various phases of themultiferroic material BiFeO$_3$ by evaluating their charge carrier effectivemasses using first-principles simulations. We identify a tetragonal phase withthe promising combination of a large spontaneous polarisation and relativelylight charge carriers. From a systematic study of the octahedral distortionspresent in BiFeO$_3$, we explain the relationship between structure andeffective masses in terms of the changes to the orbital character and overlapat the band edges that result from changes in the geometry. The findings inthis study provide some design principles to engineer desired effective massesin BiFeO$_3$ and similar materials through manipulation of their crystalstructures in experimentally accessible ways.

Influence of crystal structure on charge carrier effective masses in BiFeO$_3$