Molecular statics simulations of head to head and tail to tail nanodomains of rhombohedral barium titanate

Endres F, Steinmann P (2015)

Publication Language: English

Publication Type: Journal article

Publication year: 2015

Journal

Computational Materials Science Elsevier

Publisher: Elsevier

Book Volume: 97

Pages Range: 20-25

DOI: 10.1016/j.commatsci.2014.10.001

Abstract

Studies of head to head and tail to tail domain configurations of different sizes are performed in order to discover size effects in rhombohedral barium titanate. To this end, a molecular statics (MS) algorithm is applied to simulate ferroelectric barium titanate in the rhombohedral phase at 0 K (which is the standard restriction of MS). As a result the size effects on polarization patterns as well as the influence on the systems total energies are highlighted.

Authors with CRIS profile

Florian Endres Lehrstuhl für Technische Mechanik (LTM) Paul Steinmann Lehrstuhl für Technische Mechanik (LTM)

How to cite

APA:

Endres, F., & Steinmann, P. (2015). Molecular statics simulations of head to head and tail to tail nanodomains of rhombohedral barium titanate. Computational Materials Science, 97, 20-25. https://doi.org/10.1016/j.commatsci.2014.10.001

MLA:

Endres, Florian, and Paul Steinmann. "Molecular statics simulations of head to head and tail to tail nanodomains of rhombohedral barium titanate." Computational Materials Science 97 (2015): 20-25.

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