Computational study of LnGaO3 (Ln=La+Gd) perovskites

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Computational study of LnGaO3 (Ln=La+Gd) perovskites

Atomistic simulation techniques have been used to study the thermal properties of perovskite-type LnGaO3 (Ln = La-Gd). A set of interatomic potentials describing interatomic interactions in these compounds was developed and tested over a wide temperature range through utilizing free energyminimizati...

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Bibliographic Details
Main Authors:	Gale, Julian, Senyshyn, A., Ehrenberg, H., Vasylechko, L., Bismayer, U.
Format:	Journal Article
Published:	IOP Publishing Ltd 2005
Online Access:	http://www.iop.org/EJ/journal/JPhysCM http://hdl.handle.net/20.500.11937/13569

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