Theoretical studies of excitons in type II CdSe/CdTe quantum dots

4th Workshop on Theory, Modelling and Computational Methods for Semiconductors

物理学;计算机科学

Miloszewski, Jacek M.^1 ; Tomic´, Stanko^1 ; Binks, David^2

School of Computing, Science and Engineering, University of Salford, United Kingdom^1

School of Physics and Astronomy, University of Manchester, United Kingdom^2

关键词: Colloidal quantum dots;    Configuration interactions;    Exchange and correlation;    Piezoelectric potential;    Spin orbit interactions;    Surface polarizations;    Theoretical study;    Zinc blend structure;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/526/1/012005/pdf
DOI  :  10.1088/1742-6596/526/1/012005

学科分类：计算机科学（综合）

来源: IOP

【 摘 要 】

We present a method for calculating exciton and bi-exciton energies in type-II colloidal quantum dots. Our methodology is based on an 8-band k·p Hamiltonian of the zinc- blend structure, which incorporates the effects of spin-orbit interaction, strain between the core and the shell and piezoelectric potentials. Exciton states are found using the configuration interaction (CI) method that explicitly includes the effects of Coulomb interaction, as well as exchange and correlation between many-electron configurations. We pay particular attention to accurate modelling of the electrostatic interaction between quasiparticles. The model includes surface polarization and self-polarization effects due to the large difference in dielectric constants at the boundary of the QD.