High-Pressure Phase Transitions of TiN: An Ab Initio Constant Pressure Study

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dc.contributor.author Durandurdu, Murat
dc.date.accessioned 2025-09-25T10:48:10Z
dc.date.available 2025-09-25T10:48:10Z
dc.date.issued 2015-07-03
dc.description Durandurdu, Murat/0000-0001-5636-3183 en_US
dc.description.abstract An ab initio constant pressure molecular dynamics technique is carried out to explore the behaviour of rock salt-structured titanium nitride (TiN) under pressure. Two successive phase transformations are successfully observed in the dynamical simulations. The first one is an isostructural phase transition accompanied by an anomalous volume compression without any symmetry breaking. The second one is a reconstructive phase transformation into a CsCl-type structure. For the first time, the previously proposed two-phase transformations for TiN are confirmed through the simulations. en_US
dc.description.sponsorship Abdullah Gul University Support Foundation en_US
dc.description.sponsorship This work was supported by the Abdullah Gul University Support Foundation. en_US
dc.identifier.doi 10.1080/14786435.2015.1056855
dc.identifier.issn 1478-6435
dc.identifier.issn 1478-6443
dc.identifier.scopus 2-s2.0-84939261176
dc.identifier.uri https://doi.org/10.1080/14786435.2015.1056855
dc.identifier.uri https://hdl.handle.net/20.500.12573/3934
dc.language.iso en en_US
dc.publisher Taylor & Francis Ltd en_US
dc.relation.ispartof Philosophical Magazine en_US
dc.rights info:eu-repo/semantics/closedAccess en_US
dc.subject Ceramic en_US
dc.subject Ab Initio en_US
dc.subject Phase Transitions en_US
dc.subject Nitride en_US
dc.title High-Pressure Phase Transitions of TiN: An Ab Initio Constant Pressure Study en_US
dc.type Article en_US
dspace.entity.type Publication
gdc.author.id Durandurdu, Murat/0000-0001-5636-3183
gdc.author.institutional Durandurdu, Murat
gdc.author.scopusid 12244741000
gdc.author.wosid Durandurdu, Murat/Abi-4068-2020
gdc.bip.impulseclass C5
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gdc.coar.access metadata only access
gdc.coar.type text::journal::journal article
gdc.collaboration.industrial false
gdc.description.department Abdullah Gül University en_US
gdc.description.departmenttemp Abdullah Gul Univ, Dept Mat Sci & Nanotechnol Engn, TR-38080 Kayseri, Turkey en_US
gdc.description.endpage 2384 en_US
gdc.description.issue 22 en_US
gdc.description.publicationcategory Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı en_US
gdc.description.scopusquality Q3
gdc.description.startpage 2376 en_US
gdc.description.volume 95 en_US
gdc.description.woscitationindex Science Citation Index Expanded
gdc.description.wosquality Q3
gdc.identifier.openalex W2255267025
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gdc.oaire.sciencefields 0103 physical sciences
gdc.oaire.sciencefields 01 natural sciences
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