A DFT + <i>U</i> Study on the Stability of Small Cu<sub>N</sub> Clusters (<i>N</i> = 3–6 Atoms): Calculation of Phonon Frequencies
Despite the interest in copper clusters, a consensus on their atomic structure is still lacking. The experimental observation of isolated clusters is difficult, and theoretical predictions vary widely. The latter is because one must adequately describe the closed shell of <i>d</i> electr...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-09-01
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| Series: | Condensed Matter |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2410-3896/8/3/81 |