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

We study the mechanical and electronic properties of heterobilayers composedof black phosphorus (BP) on hexagonal boron nitride (hBN) and of bluephosphorus (\Pblue) on hBN by means of ab-intio density functional theory.Emphasis is put on how the stress applied on the constituent layers impacttheir structural and electronic properties. For this purpose, we adopt aspecific scheme of structural relaxation which allows us to distinguish betweenthe energy cost of distorting each layer and the gain in stacking themtogether. In most cases we find that the BP tends to contract along the softerarmchair direction, as already reported for similar structures. Thiscontraction can attain up to 5\% of strain, which might deteriorate its verygood transport properties along the armchair direction. To prevent this, wepropose a twisted-bilayer configuration where the largest part of the stressapplies on the zigzag axis, resulting in a lower impact on the transportproperties of BP. We also investigated a \Pblue/hBN bilayer. A peculiarhybridization between the valence states of the two layers lets us suggest thatelectron-hole pairs excited in the bilayer will exhibit a mixed character, withelectrons localized solely in the \Pblue{ }layer, and holes spread onto the twolayers.

The impact of stress on the electronic structure of phosphorus allotropes stacked on hexagonal boron nitride