Exploring changes in structural, electronic and elastic properties of TiO2 under pressure: A DFT investigation

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Exploring changes in structural, electronic and elastic properties of TiO2 under pressure: A DFT investigation

Titanium dioxide (TiO2) is a semiconductor material that widely used in numerous applications due to its exceptional physical and chemical properties. This study explores the structural, electronic and elastic properties of TiO2 phases in rutile, anatase and brookite under hydrostatic pressure up to...

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Bibliographic Details
Published in:	Chemical Physics
Main Author:	Samat M.H.; Taib M.F.M.; Sazman F.N.; Hussin N.H.; Yahya M.Z.A.; Ali A.M.M.; Hassan O.H.
Format:	Article
Language:	English
Published:	Elsevier B.V. 2025
Online Access:	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85203965937&doi=10.1016%2fj.chemphys.2024.112459&partnerID=40&md5=6d8d05ea34cf6b69af79e29658ac2c8f

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