Browsing by Publisher "ACADEMIC PRESS INC ELSEVIER SCIENCE"
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Novel high-pressure phase of ZrO2: An ab initio prediction
(ACADEMIC PRESS INC ELSEVIER SCIENCE, 2015)The high-pressure behavior of the orthorhombic cotunnite type ZrO2 is explored using an ab initio constant pressure technique. For the first time, a novel hexagonal phase (Ni2In type) within P63/mmc symmetry is predicted ...