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Type-II tunable SiC/InSe heterostructures under an electric field and biaxial strain

Zhu Wang, Yan Zhang, Xing Wei, Tingting Guo, Jibin Fan, Lei Ni, Yijun Weng, Zhengdi Zha, Jian Liu, Ye Tian, Ting Li, Li Duan

2020Physical Chemistry Chemical Physics53 citationsDOI

Abstract

In this study, first-principles calculations based on the density functional theory (DFT) are exploited to investigate the electronic capabilities of SiC/InSe heterostructures. According to our results, the SiC/InSe heterostructure possesses an inherent type-II band alignment, which displays a noticeable Stark effect on the band gap under a stable electric field. Besides, the heterostructure exhibits a low carrier effective mass and a narrower band gap when it is subject to tensile strain. More interestingly, the transition from an indirect to a direct band gap occurs when 8% of compressive strain is applied. Taken together, findings in this study indicate that the SiC/InSe heterostructure opens up a new avenue for its application in the fields of optoelectronics and microelectronics.

Topics & Concepts

HeterojunctionMicroelectronicsMaterials scienceElectric fieldBand gapEffective mass (spring–mass system)Strain engineeringOptoelectronicsDensity functional theoryDirect and indirect band gapsStrain (injury)Condensed matter physicsTensile strainElectronic band structureUltimate tensile strengthChemistryComputational chemistrySiliconPhysicsComposite materialQuantum mechanicsMedicineInternal medicine2D Materials and ApplicationsMXene and MAX Phase MaterialsHeusler alloys: electronic and magnetic properties