Unravelling the mechanism of pressure induced polyamorphic transition in an inorganic molecular glass.

ABSTRACT: The atomic structure of a germanium doped phosphorous selenide glass of composition Ge_2.8P_57.7Se_39.5 is determined as a function of pressure from ambient to 24 GPa using Monte-Carlo simulations constrained by high energy x-ray scattering data. The ambient pressure structure consists primarily of P₄Se₃ molecules and planar edge shared phosphorus rings, reminiscent of those found in red phosphorous as well as a small fraction of locally clustered corner-sharing GeSe₄ tetrahedra. This low-density amorphous phase transforms into a high-density amorphous phase at ~6.3 GPa. The high-pressure phase is characterized by an extended network structure. The polyamorphic transformation between these two phases involves opening of the P

SUBMITTER: Kalkan B 

PROVIDER: S-EPMC7089991 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature