High-pressure phase transitions and melt structure of PbO2 : An analog for silica

Kalkan, Bora; Godwal, B. K.; Yan, Jinyuan; Jeanloz, Raymond

doi:10.1103/physrevb.105.064111

Title: High-pressure phase transitions and melt structure of Pb O 2 : An analog for silica

Journal Article · 25 February 2022 · Physical Review. B

DOI: https://doi.org/10.1103/physrevb.105.064111 · OSTI ID:1875285

^[1]; Godwal, B. K. ^[2];

^[3]; Jeanloz, Raymond ^[2]

Univ. of California, Santa Cruz, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); University of California, Berkeley
Univ. of California, Berkeley, CA (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

In situ x-ray diffraction measurements and inverse Monte Carlo simulations of pair distribution functions were used to study the structural response of PbO₂ under pressure and to characterize the local structure of liquid PbO₂. Two phase transitions are observed upon room-temperature compression of crystalline PbO₂ up to ~65 GPa. Here, the starting mixture of rutile structured β– PbO₂ and orthorhombic α– PbO₂ undergoes a transition to a ZrO₂-type orthorhombic phase with space group Pbca at ~21 GPa. Above 42 GPa, the Pbca phase transforms to a cotunnite-type phase with space group Pnam. In this paper, we also report short-range order in liquid PbO₂, showing ~8–9-fold and 4–5-fold coordination around Pb and O atoms, respectively.

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Research Organization:: Univ. of California, Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC02-05CH11231; NA0004032

OSTI ID:: 1875285

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 6 Vol. 105; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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