Phase diagram of ${\mathrm{BiFeO}}_{3}/{\mathrm{LaFeO}}_{3}$ superlattices studied by x-ray diffraction experiments and first-principles calculations

Rispens, Gijsbert; Íñiguez, Jorge; Zanolli, Zeila; Ghosez, Philippe; Ziegler, Benedikt; Paruch, Patrycja

doi:10.1103/PhysRevB.90.104106

Journal Article

FZJ-2014-06839

Phase diagram of ${\mathrm{BiFeO}}_{3}/{\mathrm{LaFeO}}_{3}$ superlattices studied by x-ray diffraction experiments and first-principles calculations

Rispens, G. (Corresponding Author) ; Ziegler, B. ; Paruch, P. ; Zanolli, Z.FZJ* ; Íñiguez, J. ; Ghosez, P.

2014
APS College Park, Md.

Physical review / B 90(10), 104106 (2014) [10.1103/PhysRevB.90.104106]

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Please use a persistent id in citations: http://hdl.handle.net/2128/8154 doi:10.1103/PhysRevB.90.104106

Abstract: Combining structural and functional measurements, we have mapped the phase diagram of BiFeO3/LaFeO3 superlattices grown by off-axis sputtering on (110)o DyScO3 substrates. The phase diagram displays three distinct regions as a function of BiFeO3 fraction, with a BiFeO3-like ferroelectric phase and a LaFeO3-like paraelectric phase at its extremities, and a complex intermediate region, as supported by first-principles calculations. This intermediate region shows unusual, mixed functional behavior, most likely due to competing phases driven by substitution with a same-size central ion and the specific boundary conditions imposed by the superlattice structure. In the BiFeO3 rich superlattices, scaling of the ferroelectric-to-paraelectric transition temperature with the BiFeO3 thickness could provide an alternate route for studying ferroelectric size effects in BiFeO3.

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