Paving the way for cristobalite TiO2 and GeO2 attainable under moderate tensile stress: A DFT study of transformation paths and activation barriers in cristobalite-rutile transformations of MO2 (M = Si, Ge, Ti)

Autor: Haseen, Shariq, Kroll, Peter
Zdroj: In Computational Materials Science December 2019 170
Databáze: ScienceDirect