Chemical bonding in lead oxide phosphate Pb10(PO4)6O and in supposed superconductor Pb9Cu(PO4)6O
The electronic band structure and features of the charge density distribution in lead oxide phosphate Pb10(PO4)6O and the copper-doped compound Pb9Cu(PO4)6O have been studied by the density functional theory. Despite the differences in chemical compositions and crystal structures, the type of chemic...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2023-11-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0173878 |