Electronic and optical properties of graphene- and graphane ... - MIFP

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SiC nanotubes SiC-based nanostructures Sun et al., JACS 124, 14464 (2002) SiC nanowires Pan et al., Adv. Mater. 12, 1186 (2000) Applications for hydrogen storage, nanoelectronics, microelectromechanical systems
Graphene and graphane-like 2D SiC layers Silicongraphene Silicongraphane Flat honeycomb structure (sp 2 +p z ) C-Si bond length = 1.79 Å intermediate between graphene (C-C = 1.42 Å) and silicene (Si-Si = 2.28 Å) Buckling (�z) = 0.58 Å (sp 3 hybridization) C-Si bond = 1.9 Å intermediate between graphane (C-C = 1.54 Å) and silicane (Si-Si = 2.36 Å)
Page 1 and 2: Electronic and optical properties o
Page 3 and 4: c Theoretical tools: ab-initio meth
Page 5 and 6: Quasiparticle equation � � iGW
Page 7: hn GW BSE Bethe Salpeter equation c
Page 11 and 12: Quasiparticle band structures SiC S
Page 13 and 14: SiC:H band edge density of states T
Page 15 and 16: SiC:H - Electrostatic potential Two
Page 17 and 18: Optical properties (RPA) SiC SiC:H
Page 19 and 20: 2D SiC: first exciton in k-space Ho
Page 21 and 22: 2D SiC:H: first exciton in k-space
Page 23 and 24: Bound excitons in 2D hydrogenated C
Page 25 and 26: With the two limits: 2D Screened Co
Page 27 and 28: Log e-h attraction 2D Screened Coul
Page 29: Conclusions and outlook • 2D-base

Electronic and optical properties of graphene- and graphane ... - MIFP

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