Charge-Induced Structural Stability and Electronic Property of Sb, Bi, and PbTe Monolayers
Flat honeycomblike Sb and Bi monolayers have been fabricated epitaxially on Ag(111) and SiC(0001) substrates, respectively, although their freestanding structures are found to prefer a buckled form. Based on ab initio total energy calculations and phonon mode analysis, here we reveal that the charge...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-12-01
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| Series: | Metals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2075-4701/14/12/1377 |
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| Summary: | Flat honeycomblike Sb and Bi monolayers have been fabricated epitaxially on Ag(111) and SiC(0001) substrates, respectively, although their freestanding structures are found to prefer a buckled form. Based on ab initio total energy calculations and phonon mode analysis, here we reveal that the charge (electron) can essentially induce the structural stability of planar antimonene and bismuthene. With increasing of the charge, the flat antimonene and bismuthene become more stable than the buckled form in energy, as the charge is larger than 0.22–0.24 electrons per atom. Meanwhile, the phonon modes can also be stable with increasing charge for flat monolayer. Similar behavior is also found in PbTe monolayers. The present results provide an excellent account for experimental observations and reveal the stabilization mechanism of the flat honeycomb-like Sb, Bi, and PbTe monolayers. |
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| ISSN: | 2075-4701 |