Stacking-dependent electronic structure of bilayer silicene

Journal Article · Mon Mar 31 00:00:00 EDT 2014 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4870534· OSTI ID:22261617

Fu, Huixia; Zhang, Jin; Ding, Zijing; Li, Hui; Meng, Sheng ^[1]

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1. Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

Bilayer silicene (BLS) is a class of material that possibly holds both topological and superconducting properties; however, its structure is not fully understood. By scanning stacking modes and lattice constants using first principles calculations, several meta-stable configurations are identified, including a slightly faulted-AA packing structure, named slide-2AA. Different from the metallic properties of conventional AA and AB stacking forms, band structure of slide-2AA bilayer presents a sizeable indirect energy gap of ∼1.16 eV. A metal-semiconductor phase transition along the sliding pathway with a small energy barrier is also observed, indicating its electronic properties can be easily tuned by applying small shear force along the BLS surface plane. Such unique quantitative relationship of structure and electronic properties has profound implications in nanoelectronics and electromechanical devices.

• OSTI ID: 22261617
• Journal Information: Applied Physics Letters, Vol. 104, Issue 13; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ELECTRONIC STRUCTURE
ENERGY GAP
LATTICE PARAMETERS
PHASE TRANSFORMATIONS
SEMICONDUCTOR MATERIALS
SILICON
STACKING FAULTS