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 Tools annual

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 monthly

Global: Zendy Plus monthly

Presents the access of premium content as premium feature

Premium Content

Global: Zendy Plus annual

Global: Zendy Free Plan

A unique phase, belonging to an orthorhombic crystal system ( Pbca ,  Z  = 8), is proposed in AlOOH using crystal structure searches based on an evolutionary genetic algorithm method, combined with density functional theory. This phase features a nonlinear asymmetric doubly covalent hydrogen-bond and metal cations that are sixfold oxygen coordinated. Unlike the earlier proposed monoclinic phase, the stability region of  Pbca  (166–189 GPa) lies well below the pressure of decomposition to Al 2 O 3 +ice X (287 GPa). In GaOOH the  Pbca -type phase is not energetically favorable at any pressure. In the course of evaluating the breakdown of GaOOH to its constituent oxides, we have found a new phase of Ga 2 O 3  (U 2 S 3 -type). In InOOH,  Pbca  is energetically favorable over a narrow pressure interval (12–17 GPa). Also in InOOH, we find a new tetragonal structure ( P 4̄2 1m ,  Z  = 4) stable above 51 GPa. This phase has nonlinear asymmetric hydrogen-bonds and metal cations that are sevenfold oxygen coordinated. Phonon calculations confirm the vibrational stability of the new phases and show that the high-pressure polymorphs of AlOOH are likely to be important carriers of water into the deep lower mantles of Earth and rocky super-Earths.

New high-pressure phases in MOOH (M = Al, Ga, In)