Structural similarities between Ti metal and titanium oxides

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dc.contributor.authorVegas, A
dc.contributor.authorMejía-López, J
dc.contributor.authorRomero, AH
dc.contributor.authorKiwi, M
dc.contributor.authorSantamaría-Pérez, D
dc.contributor.authorBaonza, VG
dc.date.accessioned2025-01-21T01:07:44Z
dc.date.available2025-01-21T01:07:44Z
dc.date.issued2004
dc.description.abstractThe stabilities of the body-centered-tetragonal and distorted-diamond phases of titanium are investigated by first-principles methods. Our results, together with previous experimental and theoretical work, confirm two interesting observations. First, that the metal arrays in oxides correspond to stable or metastable phases of the parent metal; and second, that oxygen provides the pressure medium that stabilizes these phases. In addition, we have confirmed that the bulk modulus of oxygen matrices follows a nearly universal behavior with pressure, and that pressure-induced phase transitions tend to occur when the compressibility of the oxygen matrix reaches the compressibility of the high-pressure phase of the oxide. (C) 2004 Elsevier SAS. All rights reserved.
dc.fuente.origenWOS
dc.identifier.doi10.1016/j.solidstatesciences.2004.04.004
dc.identifier.eissn1873-3085
dc.identifier.issn1293-2558
dc.identifier.urihttps://doi.org/10.1016/j.solidstatesciences.2004.04.004
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/96372
dc.identifier.wosidWOS:000223702900006
dc.issue.numero8
dc.language.isoen
dc.pagina.final814
dc.pagina.inicio809
dc.revistaSolid state sciences
dc.rightsacceso restringido
dc.subjecttitanium
dc.subjecttitanium dioxide
dc.subjecthigh pressure
dc.subjectphase transformations
dc.subjectdensity functional theory calculations
dc.subject.ods07 Affordable and Clean Energy
dc.subject.odspa07 Energía asequible y no contaminante
dc.titleStructural similarities between Ti metal and titanium oxides
dc.typeartículo
dc.volumen6
sipa.indexWOS
sipa.trazabilidadWOS;2025-01-12
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