Can silicon behave like graphene? A first-principles study

被引：194

作者：

Houssa, M. ^{[1
]}

Pourtois, G. ^{[2
]}

Afanas'ev, V. V. ^{[1
]}

Stesmans, A. ^{[1
]}

机构：

[1] Katholieke Univ Leuven, Dept Phys & Astron, Semicond Phys Lab, Celestijnenlaan 200 D, B-3001 Louvain, Belgium

[2] IMEC, B-3001 Louvain, Belgium

来源：

APPLIED PHYSICS LETTERS | 2010年 / 97卷 / 11期

关键词：

ab initio calculations; adsorption; elemental semiconductors; silicon; ELECTRONIC-PROPERTIES;

D O I：

10.1063/1.3489937

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The electronic properties of two-dimensional hexagonal silicon (silicene) are investigated using first-principles simulations. Though silicene is predicted to be a gapless semiconductor, due to the sp(2)-hybridization of its atomic orbitals, the weak overlapping between 3p(z) orbitals of neighbor Si atoms leads to a very reactive surface, resulting in a more energetically stable semiconducting surface upon the adsorption of foreign chemical species. It is predicted that silicene inserted into a graphitelike lattice, like ultrathin AlN stacks, preserves its sp(2)-hydridization, and hence its graphenelike electronic properties. (c) 2010 American Institute of Physics. [doi:10.1063/1.3489937]

引用

页数：3

共 23 条

[1] Electronic structure of the interface of aluminum nitride with Si(100) [J].

Badylevich, M. ;

Shamuilia, S. ;

Afanas'ev, V. V. ;

Stesmans, A. ;

Fedorenko, Y. G. ;

Zhao, C. .

JOURNAL OF APPLIED PHYSICS, 2008, 104 (09)

[2] 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)

[3] The electronic properties of graphene [J].

Castro Neto, A. H. ;

Guinea, F. ;

Peres, N. M. R. ;

Novoselov, K. S. ;

Geim, A. K. .

REVIEWS OF MODERN PHYSICS, 2009, 81 (01) :109-162

[4] Electronic and transport properties of nanotubes [J].

Charlier, Jean-Christophe ;

Blase, Xavier ;

Roche, Stephan .

REVIEWS OF MODERN PHYSICS, 2007, 79 (02) :677-732

[5] Growth of high quality N-polar AlN(0001) on Si(111) by plasma assisted molecular beam epitaxy [J].

Dasgupta, Sansaptak ;

Wu, F. ;

Speck, J. S. ;

Mishra, U. K. .

APPLIED PHYSICS LETTERS, 2009, 94 (15)

[6] Van der Waals density functional for general geometries -: art. no. 246401 [J].

Dion, M ;

Rydberg, H ;

Schröder, E ;

Langreth, DC ;

Lundqvist, BI .

PHYSICAL REVIEW LETTERS, 2004, 92 (24) :246401-1

[7] Graphitic nanofilms as precursors to wurtzite films: Theory - art. no. 066102 [J].

Freeman, CL ;

Claeyssens, F ;

Allan, NL ;

Harding, JH .

PHYSICAL REVIEW LETTERS, 2006, 96 (06)

[8] The rise of graphene [J].

Geim, A. K. ;

Novoselov, K. S. .

NATURE MATERIALS, 2007, 6 (03) :183-191

[9] Physics of Silicene Stripes [J].

Kara, A. ;

Leandri, C. ;

Davila, M. E. ;

Padova, P. De ;

Ealet, B. ;

Oughaddou, H. ;

Aufray, B. ;

Lay, G. Le .

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2009, 22 (03) :259-263

[10] Growth of Si nanostructures on Ag(001) [J].

Leandri, C. ;

Oughaddou, H. ;

Aufray, B. ;

Gay, J. M. ;

Le Lay, G. ;

Ranguis, A. ;

Garreau, Y. .

SURFACE SCIENCE, 2007, 601 (01) :262-267

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