Pressure studies of the structural phase transition in ß-PbO2
We propose to revisit the pressure dependence of the structural transition in ß-PbO2. Recent experimental results obtained at D2B [Phys Rev. BB 103, 064109 (2021)] and recent DFT calculations show an unusual scenario of the pressure induced structure changes of ß-PbO2. In earlier works the tetragonal (sp. gr. P4_2/mnm) crystal structure of beta-PbO2 at ambient conditions changed to an orthorhombic CaCl2-type (Pnnm) above 4GPa. Recent measurements at D2B show that at ambient conditions the crystal structure of beta-PbO2 is orthorhombic (CaCl2-type) with a small degree of distortion. DFT calculations of the crystal structure of ß-PbO2 and SnO2 were done as a function of pressure with Quantum Espresso software by using the Perdew-Zunger potential. The orthorhombic deformation parameter r(ab)=2(a-b)/(a+b) is constant (and positive) below 2GPa, then it crosses zero near 5GPa. Similar calculations for SnO2 show a gradual increase of r(ab) without any change of sign. We would like to study this transition in ß-PbO2 with small steps of pressure between 0 and 7 GPa at D20. This experiment can provide new information about the electronic and elastic properties of rutile-type dioxides.
The data is currently only available to download if you are a member of the proposal team.
The recommended format for citing this dataset in a research publication is in the following format:
PRZENIOSLO Radoslaw; GONZALEZ SZWACKI Nevill; HAINES Julien; Thomas C. Hansen; KOZLOWSKI Pawel; LULKA Wojciech and SOSNOWSKA Izabela. (2023). Pressure studies of the structural phase transition in ß-PbO2. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-24-702
This data is not yet public
This data is not yet public
ILL has partnered with DataCite as the registration agency
for data persistent identifiers.