Energetics and electronic structure of bilayer Janus WSSe
Energetics and electronic structure of bilayer Janus WSSe
复制标题
双层Janus WSSe的能量学和电子结构
DOI：
10.35848/1882-0786/ace33d
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发表时间：
2023
影响因子：
2.3
通讯作者：
Susumu Okada
中科院分区：
文献类型：
--
作者：
Yanlin Gao;Susumu Okada
Employing density functional theory along with the effective screening medium method, we investigated the energetics and electronic structure of bilayer Janus WSSe in terms of their interlayer stacking arrangement. Through the orbital hybridization between chalcogen atoms at interfaces, the energetics are sensitive to the interlayer stacking orientation and interface atomic arrangements. This interface atomic arrangement creates the unique electronic structure of bilayer Janus WSSe determined by the dipole moment arrangement of the constituent WSSe layers. The net polarity of thin films of Janus transition-metal dichalcogenides is a simple superposition of the dipole moments of the constituent layers.
