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

作     者：Masood Yousaf M W Younis Ahmed S Jbara M Junaid Iqbal Khan G Murtaza M A Saeed Masood Yousaf;M W Younis;Ahmed S Jbara;M Junaid Iqbal Khan;G Murtaza;M A Saeed

作者机构：Department of PhysicsDivision of Science and TechnologyUniversity of EducationLahore54770Pakistan Department of ChemistryUniversity of Management and TechnologyC-IIJohar TownLahore54770Pakistan Mathematics DepartmentCollege of Education for Pure ScienceAl-Muthanna UniversitySamawah66001Iraq Laboratory of Theoretical and Experimental PhysicsDepartment of PhysicsBahauddin Zakariya UniversityMultan60800Pakistan Materials Modelling LabDepartment of PhysicsIslamia College PeshawarKPPakistan Department of Mathematics&Natural SciencesPrince Mohammad Bin Fahd UniversityP.O.Box 1664Alkhobar 31952Saudi Arabia 

出 版 物：《Communications in Theoretical Physics》 (理论物理通讯（英文版）)

年 卷 期：2022年第74卷第3期

页      面：112-118页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 070205[理学-凝聚态物理] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0817[工学-化学工程与技术] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学] 0702[理学-物理学] 

主　　题：vdW heterostructure intercalation tuning of properties layer sliding interfacial electronic properties 

摘      要：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.