Özet
We predict a graphene-like BPC2 monolayer using density functional theory (DFT) calculations. Three types of possible atom arrangements are constructed starting from BP monolayer: types I, II, and III. We find BPC2 type I to be semi-metallic while the other atom arrangements have semiconductor character. According to our calculated phonon spectrum results, BPC2 type I is stable while the others are dynamically not stable. Although all configurations are flat with no buckling, there is a unique stable structure for BPC2 monolayer. We find that this stable BPC2 monolayer is a new graphene-like Dirac semi-metal.
Orijinal dil | İngilizce |
---|---|
Sayfa (başlangıç-bitiş) | 5-10 |
Sayfa sayısı | 6 |
Dergi | Physica E: Low-Dimensional Systems and Nanostructures |
Hacim | 107 |
DOI'lar | |
Yayın durumu | Yayınlandı - Mar 2019 |
Harici olarak yayınlandı | Evet |
Bibliyografik not
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