Abstract：
:We present theoretical results on the high-temperature phase stability and phonon spectra of paramagnetic bcc iron which explicitly take into account many-body effects. Several peculiarities, including a pronounced softening of the [110] transverse (T1) mode and a dynamical instability of the bcc lattice in harmonic approximation are identified. We relate these features to the α-to-γ and γ-to-δ phase transformations in iron. The high-temperature bcc phase is found to be highly anharmonic and appears to be stabilized by the lattice entropy.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Leonov I,Poteryaev AI,Gornostyrev YN,Lichtenstein AI,Katsnelson MI,Anisimov VI,Vollhardt Ddoi
10.1038/srep05585subject
Has Abstractpub_date
2014-07-07 00:00:00pages
5585issn
2045-2322pii
srep05585journal_volume
4pub_type
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