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)
Haseen, Shariq, Kroll, PeterVolume:
170
Language:
english
Journal:
Computational Materials Science
DOI:
10.1016/j.commatsci.2019.109170
Date:
December, 2019
File:
PDF, 2.06 MB
english, 2019