Electron and hole addition energies in PbSe quantum dots

被引:18
作者
An, J. M. [1 ]
Franceschetti, A. [1 ]
Zunger, A. [1 ]
机构
[1] Natl Renewable Energy Lab, Golden, CO 80401 USA
来源
PHYSICAL REVIEW B | 2007年 / 76卷 / 04期
关键词
D O I
10.1103/PhysRevB.76.045401
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We calculate electron and hole addition energies of PbSe quantum dots using a pseudopotential configuration-interaction approach. We find that (i) the addition energies are nearly constant for the first eight carriers occupying the S-like shell. (ii) The charging sequence of the first eight carriers is non-Aufbau, but filling of the P-like single-particle states takes place only after the S-like states are filled. (iii) The charging spectrum shows bunching-up of all lines as the dielectric constant epsilon(out) of the material surrounding the dot increases. At the same time, the addition energies are significantly reduced. (iv) The calculated optical gap shows a rather weak dependence on epsilon(out), reflecting a cancellation between electron-hole interaction energies and surface polarization self-energies.
引用
收藏
页数:7
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