Abstract:
Low-dimensional materials are key to the development of a new generation of electronic technology and nanodevices. Low-dimensional platinum disselenide (PtSe
2) materials have attracted much attention because of their advantages like simple preparation method, high stability and high carrier mobility, and are regarded as one of the most promising candidate materials for electronic devices. A first-principles approach, combining density functional theory and non-equilibrium Green functions, is used to study the electronic structure and transport properties of low-dimensional PtSe
2 materials, and calculate along different boundaries the serrated and armchair type PtSe
2 nanoribbons. The results show that different band widths have very little effect on PtSe
2 under the serrated boundary, and their energy band structures are all metallic, while they show parity properties under armchair boundary. At the same time, the PtSe
2 nanodevices of different boundaries have high anisotropy, among which, the PtSe
2 nanodevices with serrated boundaries have higher currents and exhibit negative differential electrical resistance effects.