Impact of isovalent and aliovalent substitution on the mechanical and thermal properties of Gd2Zr2O7
Abstract In this study, a density functional theory method is employed to investigate the effects of isovalent and aliovalent substitution of Sm3+ on the phase stability, thermo-physical properties and electronic structure of Gd2Zr2O7. It is shown that the isovalent substitution of Sm3+ for Gd3+ res...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2017-07-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-017-06725-8 |