Scopus İndeksli Yayınlar Koleksiyonu

Permanent URI for this collectionhttps://hdl.handle.net/20.500.12573/395

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Institution Author: search.filters.institutionAuthor.Durandurdu, MuratPublisher: search.filters.publisher.Academic Press inc Elsevier Science

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  • Article
    Citation - WoS: 10
    Citation - Scopus: 11
    Novel High-Pressure Phase of ZrO2: An ab initio Prediction
    (Academic Press inc Elsevier Science, 2015-10) Durandurdu, Murat
    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 P6(3)/mmc symmetry is predicted through the simulation. The Ni2In type crystal is the densest high-pressure phase of ZrO2 proposed so far and has not been observed in other metal dioxides at high pressure before. The phase transformation is accompanied by a small volume drop and likely to occur around 380 GPa in experiment. (C) 2015 Elsevier Inc. All rights reserved.