First-Principles Study of the Stabilization and Mechanical Properties of Rare-Earth Ferritic Perovskites (RFeO3, R = La, Eu, Gd)
Current research aims to investigate the mechanical properties of rare earth perovskite ferrites (RFeO[subscript 3], R = La, Eu, Gd) utilizing density functional theory (DFT) calculations. Using the revised Perdew-Burke-Ernzerhof approximation for solids (PBEsol) approximation, the elastic constants...
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Format: | Article |
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Multidisciplinary Digital Publishing Institute
2020
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Online Access: | https://hdl.handle.net/1721.1/126784 |