Using orbital sensitivity analysis to pinpoint the role of orbital interactions in thermoelectric power factor
Abstract The modification of the electronic band structure is of critical importance for thermoelectric materials whose heat to electricity power generation is related to carrier effective mass and alignment of semiconductor band edges. One approach to optimize the electronic band structure is by mo...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-08-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-023-01103-7 |