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dc.contributor.authorAbrikosov, I.
dc.contributor.authorPonomareva, A.
dc.contributor.authorNikonov, A.
dc.contributor.authorZharmukhambetova, A.
dc.contributor.authorMosyagin, I.
dc.contributor.authorLugovskoy, Andrey
dc.contributor.authorHellman, O.
dc.contributor.authorLind, H.
dc.contributor.authorDmitriev, A.
dc.contributor.authorBarannikova, S.
dc.date.accessioned2017-01-30T15:13:34Z
dc.date.available2017-01-30T15:13:34Z
dc.date.created2015-10-29T04:10:03Z
dc.date.issued2015
dc.identifier.citationAbrikosov, I. and Ponomareva, A. and Nikonov, A. and Zharmukhambetova, A. and Mosyagin, I. and Lugovskoy, A. and Hellman, O. et al. 2015. Theoretical description of pressure-induced phase transitions: A case study of Ti-V alloys. High Pressure Research. 35 (1): pp. 42-48.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/44345
dc.identifier.doi10.1080/08957959.2014.992896
dc.description.abstract

We discuss theoretical description of pressure-induced phase transitions by means of first-principles calculations in the framework of density functional theory. We illustrate applications of theoretical tools that allow one to take into account configurational and vibrational disorders, considering Ti-V alloys as a model system. The universality of the first-principles theory allows us to apply it in studies of different phenomena that occur in the Ti-V system upon compression. Besides the transitions between different crystal structures, we discuss isostructural transitions in bcc Ti-V alloys. Moreover, we present arguments for possible electronic transitions in this system, which may explain peculiar behaviour of elastic properties of V upon compression.

dc.publisherTaylor and Francis Ltd.
dc.titleTheoretical description of pressure-induced phase transitions: A case study of Ti-V alloys
dc.typeJournal Article
dcterms.source.volume35
dcterms.source.number1
dcterms.source.startPage42
dcterms.source.endPage48
dcterms.source.issn0895-7959
dcterms.source.titleHigh Pressure Research
curtin.departmentDepartment of Physics and Astronomy
curtin.accessStatusFulltext not available


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