?-? phase transition of elemental cerium metal
Yükleniyor...
Dosyalar
Tarih
2022
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
IOP Publishing Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
The isostructural gamma-alpha phase transition in elemental cerium has been the subject of many experimental and theoretical studies over almost the past century without a universally agreed upon mechanism. here, we report the results of an extensive study of electronic and magnetic structures, f-electron number, entanglement entropy, and elastic properties of cerium in the GGA + U framework. We have found that almost all changes in the studied quantities mimic their behavior in the phase transition and could be related to the symmetry of the 4f occupation and the small change in Hubbard U near a critical value.
Açıklama
Anahtar Kelimeler
Cerium, Gamma-Alpha Phase Transition, Elastic Properties, High-Pressure Phases, Electronic-Structure, Elastic-Constants
Kaynak
Journal of Physics-Condensed Matter
WoS Q Değeri
Q3
Scopus Q Değeri
Q2
Cilt
34
Sayı
29
Künye
Eryigit, S., Parlak, C., & Eryigit, R. (2022). γ–α phase transition of elemental cerium metal. Journal of Physics: Condensed Matter, 34(29), 295402.
