Ab initio exploration of the structural, elastic, electronic and optical properties of a new layered perovskite-type oxyfluoride: CsSrNb2O6F
We report and discuss the results of a detailed ab initio investigation of the structural, elastic, electronic and optical properties of a new layered perovskite-type oxyfluoride: CsSrNb2O6F. The calculated ground state lattice parameters are in excellent agreement with the available experimental co...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Published: |
Elsevier Sci Ltd
2021
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| Subjects: | |
| Online Access: | http://eprints.um.edu.my/28195/ |
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