Regensburg 2010 – scientific programme

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DF: Fachverband Dielektrische Festkörper

DF 17: Nano- and microstructured dielectrics

DF 17.3: Talk

Thursday, March 25, 2010, 16:10–16:30, H11

The novel polarization patterns in BaTiO₃ nanowires from first principles — •Jiawang Hong^1,2, Gustau Catalan^1,3, Daining Fang^2,4, Emilio Artacho^1,5, and James F. Scott^1,6 — ¹Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge CB2 3EQ, UK — ²AML,Department of Engineering Mechanics, Tsinghua University, Beijing, 100084, P. R. China — ³ICREA and Centre d’Investigacio en Nanociencia i Nanotecnologia (CIN2), Campus UAB, Bellaterra, Spain — ⁴LTCS, College of Engineering, Peking University, Beijing 100084, P.R.China — ⁵Donostia International Physics Centre, Universidad del Pais Vasco, 20080 San Sebastian, Spain — ⁶Cavendish Laboratory, University of Cambridge, JJ Thomson Ave, Cambridge CB3 0HE, UK

Based on first principles calculations, the behaviour of the cross-sectional polarization field is explored for thin BaTiO₃ nanowires with different surface terminations. The unusual and interesting polarization patterns are discovered in these wires, beyond the known patterns in ferroelectric nanostructures. It is found that these new patterns result from the competition of surface effects and edge effects. The critical size of nanowires with different surface terminations is also investigated.