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

Beitrag in einer Fachzeitschrift


Details zur Publikation

Autor(en): Endres F, Steinmann P
Zeitschrift: Computational Materials Science
Verlag: Elsevier
Jahr der Veröffentlichung: 2015
Band: 97
Seitenbereich: 20-25
ISSN: 0927-0256
Sprache: Englisch


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.



FAU-Autoren / FAU-Herausgeber

Endres, Florian
Lehrstuhl für Technische Mechanik
Steinmann, Paul Prof. Dr.-Ing.
Lehrstuhl für Technische Mechanik


Zitierweisen

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://dx.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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Zuletzt aktualisiert 2018-12-07 um 10:10