二维γ-GeSe基异质结的电子特性研究

Electronic properties of the heterostructure based on 2Dγ-GeSe

二维γ-GeSe拥有类似石墨烯的优异导电特性.利用第一性原理,对二维γ-GeSe的结构和电子特性进行了研究;构建了γ-GeSe/SnSe 2异质结,结果表明该异质结是典型的Ⅱ型能带排列.在施加电场后,其带隙值会有明显的增大,但其能带排列类型保持稳定的Ⅱ型能带排列,这种特性表明此异质结具有在太阳能电池领域应用的潜力.构建的γ-GeSe/GaSe异质结具有典型的Ⅰ型能带排列,施加电场对异质结的电子结构影响甚微;但能一直保持稳定的Ⅰ型能带排列,表明该异质结在发光二极管领域和激光器中具有应用潜力.

The newly discoveredγ-GeSe has attracted attention due to its novel structure,showing significant properties similar to graphene.Based on the density functional theory,the electronic properties of the 2Dγ-GeSe van der Waals(vdW)heterostructure were investigated,and the effects of applying electric field and strain also were discussed.According to the results,theγ-GeSe/SnSe 2 heterostructure presents the intrinsic type-Ⅱband alignment,and it is unchanged with strain and electric field,which appears potential applications in the field of solar cells.Anotherγ-GeSe/GaSe heterostructure demonstrates a typical type-Ⅰband alignment.It is found that the electric field has little effect onγ-GeSe/GaSe,and the stable type-Ⅰband alignment is always maintained.The results show thatγ-GeSe/GaSeheterostructure has significant potential for devices in light-emitting diodes.