First-principles prediction on silicene-based heterobilayers as a promising candidate for FET

被引：9

作者：

Zhang, Run-wu ^{[1
]}

Zhang, Chang-wen ^{[1
]}

Ji, Wei-xiao ^{[1
]}

Ren, Miao-juan ^{[1
]}

Li, Feng ^{[1
]}

Yuan, Min ^{[1
]}

机构：

[1] Univ Jinan, Sch Phys & Technol, Jinan 250022, Shandong, Peoples R China

来源：

MATERIALS CHEMISTRY AND PHYSICS | 2015年 / 156卷

基金：

中国国家自然科学基金;

关键词：

Ab initio calculations; Multilayers; Heterostructures; Semiconductivity; 2-DIMENSIONAL SILICENE; SUBSTRATE; FERROMAGNETISM; TRANSITION; NANOSHEETS; SILICANE; GRAPHENE; GAP;

D O I：

10.1016/j.matchemphys.2015.02.029

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The structural and electronic properties of silicene/silicane and silicene/germanene heterobilayers (HBLs) are investigated by using first-principles methods. The results show that the silicene interacts overall with silicane (germanene) with a binding energy of -50 similar to-70 meV per Si (Ge) atom, suggesting a weakly van der Waals interaction between silicene and substrate. A relative large bandgap with a linear band dispersion of HBLs is opened due to the sublattice symmetry broken by the intrinsic interface dipole between silicene and substrate. Remarkably, the band gap of all these HBLs can also be continually tuned modulated by adjusting the interlayer spacing and strain, independent on the stacking arrangements. Silicene is thus expected to be useful for building high-performance FET channel, which would extend its applicability to possible future nanoelectronics. (C) 2015 Elsevier B.V. All rights reserved.

引用

页码：89 / 94

页数：6

共 38 条

[1] Stability and Exfoliation of Germanane: A Germanium Graphane Analogue [J].

Bianco, Elisabeth ;

Butler, Sheneve ;

Jiang, Shishi ;

Restrepo, Oscar D. ;

Windl, Wolfgang ;

Goldberger, Joshua E. .

ACS NANO, 2013, 7 (05) :4414-4421

[2] Tkatchenko-Scheffler van der Waals correction method with and without self-consistent screening applied to solids [J].

Bucko, Tomas ;

Lebegue, S. ;

Hafner, Juergen ;

Angyan, J. G. .

PHYSICAL REVIEW B, 2013, 87 (06)

[3] Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections [J].

Bucko, Tomas ;

Hafner, Juergen ;

Lebegue, Sebastien ;

Angyan, Janos G. .

JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 114 (43) :11814-11824

[4] Two- and One-Dimensional Honeycomb Structures of Silicon and Germanium [J].

Cahangirov, S. ;

Topsakal, M. ;

Akturk, E. ;

Sahin, H. ;

Ciraci, S. .

PHYSICAL REVIEW LETTERS, 2009, 102 (23)

[5] Controllable modulation of the electronic properties of graphene and silicene by interface engineering and pressure [J].

Chen, Kun ;

Wan, Xi ;

Xu, Jian-Bin .

JOURNAL OF MATERIALS CHEMISTRY C, 2013, 1 (32) :4869-4878

[6] Electronic structures of silicene/GaS heterosheets [J].

Ding, Yi ;

Wang, Yanli .

APPLIED PHYSICS LETTERS, 2013, 103 (04)

[7] Density functional theory calculations for two-dimensional silicene with halogen functionalization [J].

Gao, Nan ;

Zheng, Wei Tao ;

Jiang, Qing .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2012, 14 (01) :257-261

[8] Semiempirical GGA-type density functional constructed with a long-range dispersion correction [J].

Grimme, Stefan .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2006, 27 (15) :1787-1799

[9] Absence and presence of Dirac electrons in silicene on substrates [J].

Guo, Zhi-Xin ;

Furuya, Shinnosuke ;

Iwata, Jun-ichi ;

Oshiyama, Atsushi .

PHYSICAL REVIEW B, 2013, 87 (23)

[10] An electric field tunable energy band gap at silicene/(0001) ZnS interfaces [J].

Houssa, M. ;

van den Broek, B. ;

Scalise, E. ;

Pourtois, G. ;

Afanas'ev, V. V. ;

Stesmans, A. .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2013, 15 (11) :3702-3705

← 1 2 3 4 →