Strong many-body effects in silicene-based structures

被引:69
|
作者
Wei, Wei [1 ]
Jacob, Timo [1 ]
机构
[1] Univ Ulm, Inst Electrochem, D-89081 Ulm, Germany
关键词
ELECTRON-HOLE EXCITATIONS; DENSITY-FUNCTIONAL THEORY; 2-DIMENSIONAL SILICENE; OPTICAL-EXCITATIONS; GREENS-FUNCTION; GRAPHENE; SPECTRUM; 1ST-PRINCIPLES; EXCITONS; GAS;
D O I
10.1103/PhysRevB.88.045203
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Silicene, which is the silicon equivalent of carbon-based graphene and shares some unique properties with graphene, has been attracting more and more attention since its successful synthesis. Using Green's function perturbation theory, many-body effects in silicene, hydrogenated silicene (silicane), fluorinated silicene (fluorosilicene), as well as armchair silicene nanoribbons (ASiNRs) are studied. Optical resonances in silicene have been aroused by excitonic effects: The pi -> pi* excitonic resonance at 1.23 eV is contributed by the characteristic dispersion of Dirac fermions, while the one at 3.75 eV is due to the sigma -> pi* transition. Hydrogenation or fluorination of silicene removes the conductivity at the Dirac point and causes band-gap opening. In addition to the remarkable self-energy effects, optical absorption properties of silicane, fluorosilicene, and ASiNRs are dominated by strong excitonic effects with formation of bound excitons with considerable binding energies.
引用
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页数:7
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