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Dresden 2011 – wissenschaftliches Programm

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DF: Fachverband Dielektrische Festkörper

DF 2: Nonlinear dielectrics, phase transitions, relaxors

DF 2.5: Vortrag

Montag, 14. März 2011, 12:20–12:40, KÖN Farb

Complex polarization ordering in PbTiO3 nanowires: A first-principles computational studyGhanshyam Pilania1 and •Rampi Ramprasad21University of Connecticut, Storrs, USA — 2University of Connecticut, Storrs, USA; Fritz-Haber-Institut der MPG, Berlin, Germany

Based on parameter-free density-functional-theory calculations, we demonstrate the possibility of nonrectilinear curling vortex electric dipole configurations in PbTiO3 nanowires [1]. We predict that the critical size for the genesis of the vortex polarization instability with an axial toroidal moment is 16 Å. We also report previously unknown phase transitions between the nonrectilinear vortex and conventional rectilinear axial polarization configurations mediated by strain and surface terminations. The ability to switch reversibly between the vortex clockwise/counterclockwise and axial positive/negative polarization states may open up transformative technological possibilities.

[1] G. Pilania and R. Ramprasad, Phys. Rev. B 82, 155442 (2010).

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