We investigate the electronic structure and the thermoelectric transport properties of zigzag buckling
silicene nanoribbons(BSiNRs)under the effect of external electricfields by means of atomistic simulations. The obtained results show that thanks to the buckling feature, zigzag BSiNRs have a stronger response to a vertical electricfieldcomparedto itsflat form structure and also single-layer and bi-layer graphene nanoribbons with zigzag edges(GNRs & BGNRs). An inverse is observed in the case of a transverse electric field. Interestingly, the mutual effect when applying simultaneously the vertical and transverse fields induces a larger bandgap compared to individual ones. The mutual effect observed with zigzag BSiNRs is much more pronounced compared to that in zigzag BGNRs since the verticalfield has a modest effect on zigzag BGNRs stemming from weak van der Waals interactions between graphene layers. Thermoelectric performance of zigzag BSiNRs is enhanced remarkably with electricfields in which thefigure of meritZTcanbetunedtoexceed1.Interestingly, although the mutual impact of two externalfields induces the largest Seebeck coefficient, it unveils that the vertical electricfield is overall more efficient in enhancing the thermoelectric performance of zigzag BSiNRs. In addition, the enhancement ofZTis demonstrated to stem mainly from a dramatical degradation of the electron thermal conductance around the Fermi level. This study shows that zigzag BSiNRs in combination with external electricfields have favourable advantages for different electronic and thermoelectric applications.
Tạp chí khoa học Trường Đại học Cần Thơ
Lầu 4, Nhà Điều Hành, Khu II, đường 3/2, P. Xuân Khánh, Q. Ninh Kiều, TP. Cần Thơ
Điện thoại: (0292) 3 872 157; Email: tapchidhct@ctu.edu.vn
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