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Effect of layer sliding on the interfacial electronic properties of intercalated silicene/indium selenide van der Waals heterostructure

引用

Communications in Theoretical Physics 2022年第3期74卷 112-118页

作者： Masood Yousaf M W Younis Ahmed S Jbara M Junaid Iqbal Khan G Murtaza M A Saeed Department of Physics Division of Science and TechnologyUniversity of EducationLahore54770Pakistan Department of Chemistry University of Management and TechnologyC-IIJohar TownLahore54770Pakistan Mathematics Department College of Education for Pure ScienceAl-Muthanna UniversitySamawah66001Iraq Laboratory of Theoretical and Experimental Physics Department of PhysicsBahauddin Zakariya UniversityMultan60800Pakistan Materials Modelling Lab Department of PhysicsIslamia College PeshawarKPPakistan Department of Mathematics&Natural Sciences Prince Mohammad Bin Fahd UniversityP.O.Box 1664Alkhobar 31952Saudi Arabia

Methods capable of tuning the properties of van der Waals(vdW)layered materials in a controlled and reversible manner are highly *** electronic properties of two-dimensional vdW heterostructure consisting of silicene and indium selenide(InSe)have been calculated using density functional theory-based computational ***,in order to vary the aforementioned properties,silicene is slid over a InSe layer in the presence of Li *** intercalation of the heterostructure,the buckling parameter associated with the corrugation of silicene decreases from 0.44A to 0.36A,whereas the InSe structure remains *** energy scans reveal a significant increase in the sliding energy barrier for the case of intercalated heterostructure as compared with the unintercalated *** sliding of the silicene encounters the maximum energy barrier of 0.14 *** analysis shows the noteworthy differences between calculated in-plane and out-of-plane part of dielectric function.A variation of the planar average charge density difference,dipole charge transfer and dipole moment have been discussed to elucidate the usability spectrum of the *** employed approach based on intercalation and layer sliding can be effectively utilized for obtaining next-generation multifunctional devices.

关键词： vdW heterostructure intercalation tuning of properties layer sliding interfacial electronic properties

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