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An atomistic scale analysis of ferroelectric nanodomain interfaces
Author(s) -
Endres Florian,
Steinmann Paul
Publication year - 2015
Publication title -
pamm
Language(s) - English
Resource type - Journals
ISSN - 1617-7061
DOI - 10.1002/pamm.201510134
Subject(s) - ferroelectricity , statics , polarization (electrochemistry) , materials science , length scale , scale (ratio) , condensed matter physics , statistical physics , physics , chemistry , mechanics , classical mechanics , optoelectronics , dielectric , quantum mechanics
We discuss numerical results of nanodomain interfaces using a new extended molecular statics algorithm for ferroelectric materials. The new algorithm is able to not only calculate the change of the polarization behavior caused by strain but also the influence on the polarization behavior due to mechanical stress. The size effects of 180° head to head and tail to tail nanodomains have already been investigated. This study also considers 90° domain walls and discusses the impact of mechanical stress on polarization patterns and system energies of nanodomain interfaces. (© 2015 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)