Published in

Royal Society of Chemistry, Physical Chemistry Chemical Physics, 48(25), p. 33013-33022, 2023

DOI: 10.1039/d3cp04690g

Links

Tools

Export citation

Search in Google Scholar

Phase relations, thermal conductivity and elastic properties of ZrO<sub>2</sub> and HfO<sub>2</sub> polymorphs at high pressures and temperatures

Journal article published in 2023 by Dinara N. Sagatova ORCID, Nursultan E. Sagatov ORCID, Pavel N. Gavryushkin ORCID, Sergey F. Solodovnikov ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

Full text: Unavailable

Green circle
Preprint: archiving allowed
Upload
Orange circle
Postprint: archiving restricted
Upload
Red circle
Published version: archiving forbidden
Policy details
Data provided by SHERPA/RoMEO

Abstract

In the present study, P–T phase diagrams of ZrO2 and HfO2 for a wide pressure range were calculated for the first time using DFT. The thermal conductivity and elastic properties of ZrO2 and HfO2 were calculated and compared with the available data.