Physics – Condensed Matter – Mesoscale and Nanoscale Physics
Scientific paper
2011-08-10
Phys. Rev. B 85, 024106 (2012)
Physics
Condensed Matter
Mesoscale and Nanoscale Physics
Updated, 7 pages
Scientific paper
10.1103/PhysRevB.85.024106
Against expectations, robust switchable ferroelectricity has been recently observed in ultrathin (1 nm) ferroelectric films exposed to air [V. Garcia $et$ $al.$, Nature {\bf 460}, 81 (2009)]. Based on first-principles calculations, we show that the system does not polarize unless charged defects or adsorbates form at the surface. We propose electrochemical processes as the most likely origin of this charge. The ferroelectric polarization of the film adapts to the bound charge generated on its surface by redox processes when poling the film. This, in turn, alters the band alignment at the bottom electrode interface, explaining the observed tunneling electroresistance. Our conclusions are supported by energetics calculated for varied electrochemical scenarios.
Artacho Emilio
Bristowe N. C.
Littlewood Peter B.
Pruneda Jose M.
Stengel Massimiliano
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