Layer-stacking effect on electronic structures of bilayer arsenene

作者：Mi, Kui; Xie, Jiafeng; Si, M. S.^*; Gao, C. X.

来源：EPL, 2017, 117(2): 27002.

DOI：10.1209/0295-5075/117/27002

• TOTAL-ENERGY CALCULATIONS
• BLACK PHOSPHORUS
• ANISOTROPY
• TRANSPORT
• BANDGAP

A monolayer of orthorhombic arsenic (arsenene) is a promising candidate for nanoelectronic devices due to the uniquely electronic properties. To further extend its practical applications, an additional layer is introduced to tune the electronic structures. Four layer-stacking manners, namely AA-, AB-, AB'-, and AC-stacking, are constructed and studied through using first-principles calculations. Compared with monolayer, an indirect-direct gap transition is realized in AB-stacking. More importantly, a semimetal feature appears in the AC-and AB'-stacked bilayers, leaving the electronic structure of AA-stacking trivial. In addition, the energy dispersion around Gamma is largely tuned from the layer-stacking effect. To understand the underlying physics, the k center dot p approximation is taken to address this issue. Our results show that the level repulsion from the additional layer domaintes the anisotropy of energy dispersion around Gamma. The works like ours would shed new light on the tunability of the electronic structure in layered arsenene.

• 出版日期2017-1
• 单位兰州大学