Title:	DFT study on quantum dots materials
DNr:	SNIC 2019/7-14
Project Type:	SNIC Small Compute
Principal Investigator:	Tamara Sloboda <sloboda@kth.se>
Affiliation:	Kungliga Tekniska högskolan
Duration:	2019-02-27 – 2020-03-01
Classification:	10407
Keywords:

Abstract

We study both static and transport properties of model quantum dots, employing DFT as well as (numerically) exact methods. For the lattice model under consideration the accuracy of the local-density approximation generally is poor. For weak interaction, however, accurate results are achieved within the optimized effective potential method, while for intermediate interaction strengths a method combining the exact diagonalization of small clusters with density functional theory is very successful. Also, we use DFT to study how the ground-state spatial entanglement of two electrons confined in a spherical quantum dot varies with dot size and material.