Structural stability and electronic properties of graphene/germanene heterobilayer

被引：11

作者：

Bin Hamid, Mohamad Amin ^{[1
,2
]}

Tim, Chan Kar ^{[1
,2
]}

Heng, Raymond Ooi Chong ^{[3
]}

Zainuddin, Hishamuddin ^{[1
,2
]}

Shah, Nurisya Mohd ^{[1
,2
]}

Nidzam, Nazirul Nazrin Shahrol ^{[4
]}

机构：

[1] Univ Putra Malaysia, Inst Math Res INSPEM, Serdang 43400, Selangor Darul, Malaysia

[2] Univ Putra Malaysia, Fac Sci, Dept Phys, Serdang 43400, Selangor Darul, Malaysia

[3] Univ Malaya, Dept Phys, Kuala Lumpur 50603, Malaysia

[4] Inst Kejora, Tronoh 31750, Perak, Malaysia

来源：

RESULTS IN PHYSICS | 2021年 / 28卷

关键词：

Density functional theory; Graphene; Germanene; Two-dimensional materials; Heterobilayer; DENSITY-FUNCTIONAL THEORY; BORON-NITRIDE; GRAPHENE;

D O I：

10.1016/j.rinp.2021.104545

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

In this work, the structural and electronic properties of graphene/germanene heterobilayer is investigated by using density functional theory. We find that the graphene and germanene are bounded together mainly by weak van der Waal forces. This is supported by small interlayer binding energy of graphene/germanene heterobilayer. In the heterobilayer, the Dirac cone characteristics of both graphene and germanene layers are well preserved. The band gap opening is found due to the unsaturated p(z)-orbital of germanene layer. Further variation of compressive strain along the normal of the heterobilayer increases the band gap opening in the heterobilayer. Inhomogeneous charge redistribution is found in between graphene and germanene layer, where small charge accumulation region is found in germanene layer while charge depletion region in graphene layer. The total charge accumulations in between graphene and germanene sheets is 5.645 x 10(-4) e.

引用

页数：7

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