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Register a new userOptical Properties of Graphene-like Two Dimensional Silicene
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We study optical properties of two dimensional silicene using density functional theory based calculations. Our results on optical response property calculations show that they strongly depend on direction of polarization of light, hence the optical absorption spectra are different for light polarized parallel and perpendicular to plane of silicence. The optical absorption spectra of silicene possess two major peaks: (i) a sharp peak at 1.74 eV due to transition from pi to pi* states and (ii) a broad peak in range of 4-10 eV due to excitation of sigma states to conduction bands. We also investigate the effect of external influences such as (a) transverse static electric field and (b) doping of hydrogen atoms (hydrogenation) on optical properties of silicene. Firstly, with electric field, it is observed that band gap can be opened up in silicene at Fermi level by breaking the inversion symmetry. We see appreciable changes in optical absorption due to band gap opening. Secondly, hydrogenation in silicene strongly modifies the hybridization and our geometry analysis indicates that the hybridization in silicene goes from mixture of sp^2 + sp^3 to purely sp^3. Therefore, there is no pi electron present in the system. Consequently, the electronic structure and optical absorption spectra of silicene get modified and it undergoes a transition from semi-metal to semiconductor due to hydrogenation.
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Gallium chalcogenides are promising building blocks for novel van der Waals heterostructures. We report low-temperature micro-photoluminescence (PL) of GaTe and GaSe films with thickness ranging from from 200 nm to a single unit cell. In both materials, PL shows dramatic decrease by 10$^4$-10$^5$ when film thickness is reduced from 200 to 10 nm. Based on evidence from cw and time-resolved PL, we propose a model explaining the PL decrease as a result of non-radiative carrier escape via surface states.
Considering the difference of energy bands in graphene and silicene, we put forward a new model of the graphene-silicene-graphene (GSG) heterojunction. In the GSG, we study the valley polarization properties in a zigzag nanoribbon in the presence of an external electric field. We find the energy range associated with the bulk gap of silicene has a valley polarization more than 95%. Under the protection of the topological edge states of the silicene, the valley polarization remains even the small non-magnetic disorder is introduced. These results have certain practical significance in applications for future valley valve.
Hexagonal boron nitride is the only substrate that has so far allowed graphene devices exhibiting micron-scale ballistic transport. Can other atomically flat crystals be used as substrates for making quality graphene heterostructures? Here we report on our search for alternative substrates. The devices fabricated by encapsulating graphene with molybdenum or tungsten disulphides and hBN are found to exhibit consistently high carrier mobilities of about 60,000 cm$^{2}$V$^{-1}$s$^{-1}$. In contrast, encapsulation with atomically flat layered oxides such as mica, bismuth strontium calcium copper oxide and vanadium pentoxide results in exceptionally low quality of graphene devices with mobilities of ~ 1,000 cm$^{2}$ V$^{-1}$s$^{-1}$. We attribute the difference mainly to self-cleansing that takes place at interfaces between graphene, hBN and transition metal dichalcogenides. Surface contamination assembles into large pockets allowing the rest of the interface to become atomically clean. The cleansing process does not occur for graphene on atomically flat oxide substrates.
Optical and electronic properties of two dimensional few layers graphitic silicon carbide (GSiC), in particular monolayer and bilayer, are investigated by density functional theory and found different from that of graphene and silicene. Monolayer GSiC has direct bandgap while few layers exhibit indirect bandgap. The bandgap of monolayer GSiC can be tuned by an in-plane strain. Properties of bilayer GSiC are extremely sensitive to the interlayer distance. These predictions promise that monolayer GSiC could be a remarkable candidate for novel type of light-emitting diodes utilizing its unique optical properties distinct from graphene, silicene and few layers GSiC.
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