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Structural and electronic properties of two-dimensional stanene and graphene heterostructure

Liyuan Wu ; Pengfei Lu ; Jingyun Bi ; Chuanghua Yang ; yuxin song ; Pengfei Guan ; Shumin Wang (Institutionen för mikroteknologi och nanovetenskap, Mikrovågselektronik)
Nanoscale Research Letters (1931-7573). Vol. 11 (2016), 1, Artikel nr: 525,
[Artikel, refereegranskad vetenskaplig]

Structural and electronic properties of two-dimensional stanene and graphene heterostructure (Sn/G) are studied by using first-principles calculations. Various supercell models are constructed in order to reduce the strain induced by the lattice mismatch. The results show that stanene interacts overall weakly with graphene via van der Waals (vdW) interactions. Multiple phases of different crystalline orientation of stanene and graphene could coexist at room temperature. Moreover, interlayer interactions in stanene and graphene heterostructure can induce tunable band gaps at stanene’s Dirac point, and weak p-type and n-type doping of stanene and graphene, respectively, generating a small amount of electron transfer from stanene to graphene. Interestingly, for model Sn(7)/G(5), there emerges a band gap about 34 meV overall the band structure, indicating it shows semiconductor feature.

Nyckelord: First-principles, Graphene, Heterostructure, Stanene, Structural properties



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Denna post skapades 2017-01-26. Senast ändrad 2017-10-05.
CPL Pubid: 247727

 

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