Tunable electronic, optical and magnetic characteristics in Mn-doped inverted type-I ZnSe/CdSe core/shell nanocrystals: Atomistic tight-binding model

Abstract

Employing the atomistic tight-binding theory and sp-d exchange interaction, Mn-doped ZnSe cores encapsulated by a CdSe thin and thick shell are examined as the functional of the applied magnetic fields. The spin-degenerate states are broken in the applied fields because of the sp-d exchange interaction. The electronic, optical and magnetic characteristics of Mn-doped inverted type-I ZnSe/CdSe core/shell nanocrystals are sensitive with the applied magnetic fields caused by the sp-d exchange interaction, while those depend on the shell thickness on account of the quantum confinement phenomena. The optical properties are enhanced in Mn-doped ZnSe/CdSe@Thick core/shell nanocrystals inside the high magnetic fields. For the validation, the calculated Zeeman splitting energies agree well with the experimental data. Overall, these determined materials combine the advantages of nanocrystals and magnetic ions, thus opening alternative opportunities for a wide-ranging applications in the forthcoming.