Correcting the corrections for charged defects in crystals
While the theory of imperfections in solids is firmly established, procedures for first-principles calculations of defect quantities continue to evolve. A plethora of ad hoc correction schemes is being replaced by sophisticated self-consistent procedures that will enable more quantitative prediction...
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| Format: | article |
| Language: | EN |
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Nature Portfolio
2021
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| Online Access: | https://doaj.org/article/edfdfe4b941b401bb5a70716965b1449 |
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