Atomistic tight-binding theory in 2D colloidal CdSe zinc-blende nanoplatelets

摘要: Using atomistic tight-binding theory in conjunction with the configuration interaction description, I investigate structural and optical properties of colloidal CdSe zinc-blende nanoplatelets. highlight that new class nanoplatelets has strong thickness lateral size dependence on natural properties. In an effort to theoretically demonstrate dependent behaviors, single-particle spectra, orbital occupation, band gaps, electron–hole wave function overlaps, oscillation strengths, ground-state Coulomb energies Stokes shift are realized under different $$(l_x)$$ vertical $$(l_z)$$ sizes. The electronic structures monotonically sizes, while those nonmonotonically sensitive This prediction will contribute understanding physical behaviors deliver some significant data for experimental study which can be produced by inexpensive means.