A mechanism for the 150muCcm-2 polarization of BiFeO3 films based on first-principles calculations and new structural data

Following our experimental report of a giant ferroelectric polarization in the region of 150 muC cm-2 in BiFeO3 (BFO) films, we have performed first-principles calculations based on the local density approximation to density functional theory, aiming to clarify its mechanism. Upon optimization of la...

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Veröffentlicht in:Journal of physics. Condensed matter 2006-02, Vol.18 (6), p.L97-L105
Hauptverfasser: Ricinschi, Dan, Yun, Kwi-Young, Okuyama, Masanori
Format: Artikel
Sprache:eng
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