Geometric and Electronic Properties of Monolayer HfX2 (X = S, Se, or Te): A First-Principles Calculation
The essential properties of monolayer HfX2 (X = S, Se, or Te) are fully explored by first-principles calculations. The optimal lattice symmetries, sublattice buckling, electronic energy spectra, and density of states are systematically investigated. Monolayer HfS2, HfSe2, and HfTe2, respectively, be...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Frontiers Media S.A.
2021-03-01
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| Series: | Frontiers in Materials |
| Subjects: | |
| Online Access: | https://www.frontiersin.org/articles/10.3389/fmats.2020.569756/full |