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...
| Main Authors: | , , , , |
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| Format: | Journal Article |
| Published: |
IOP Publishing Ltd
2005
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| Online Access: | http://www.iop.org/EJ/journal/JPhysCM http://hdl.handle.net/20.500.11937/13569 |