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Boundary and Symmetry Determined Exciton Distribution in Two Dimensional Silicon Nanosheets

Wu, Qi ; Wang, Xiao-Hui ; Niehaus, Thomas A. ; Zhang, R. Q.


The size-dependent optical properties of silicon nanosheets (SiNSs) are investigated using the time-dependent density functional based tight-binding method (TD-DFTB). Evidence for the formation of self-trapped exciton states in SiNSs is provided by examining the localization properties in terms of the characteristic size of the electronic excitations. We show that the frontier molecular orbitals ...


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