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Structural, electronic, optical and magnetic properties of EuO and DyO compounds: ab initio study.
In: Phase Transitions, Jg. 93 (2020-09-01), Heft 9, S. 865-876
Online
academicJournal
Zugriff:
In this manuscript, we discussed an ab initio analysis of the structural, electronic, optical and magnetic properties of LnO (Ln = Eu, Dy) compounds. Our assessments were performed by the augmented plane wave method FP LAPW founded on the DFT (density functional theory) and introduced in the Wien2k calculation code. This investigation of the electronic band, structural, optical and magnetic properties were performed using a combination of modified Becke–Johnson exchange potential plus GGA + U-mBJ for exchange-correlation potential. In our study, the ferromagnetic behavior of the two compounds is very clear with magnetic moments of around 7 µB for EuO and 5 µB for DyO. The structure transitions for these materials from B1 to B2 are possible at high pressures and the calculation of the band structure shows that DyO has a direct gap (X–X). [ABSTRACT FROM AUTHOR]
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Titel: |
Structural, electronic, optical and magnetic properties of EuO and DyO compounds: ab initio study.
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Autor/in / Beteiligte Person: | Baida, A. ; Ghezali, M. ; Mahfoud, B. ; Arroussi, A. ; Fasla, S. Louhibi |
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Zeitschrift: | Phase Transitions, Jg. 93 (2020-09-01), Heft 9, S. 865-876 |
Veröffentlichung: | 2020 |
Medientyp: | academicJournal |
ISSN: | 0141-1594 (print) |
DOI: | 10.1080/01411594.2020.1803318 |
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