Impurity effects on the electronic structure of square quantum dots: a full configuration-interaction study

Pujari, Bhalchandra S. ; Joshi, Kavita ; Kanhere, D. G. ; Blundell, S. A. (2008) Impurity effects on the electronic structure of square quantum dots: a full configuration-interaction study Physical Review B, 78 (12). 125414_1-125414_12. ISSN 0163-1829

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Official URL: http://prb.aps.org/abstract/PRB/v78/i12/e125414

Related URL: http://dx.doi.org/10.1103/PhysRevB.78.125414

Abstract

We perform a full configuration-interaction study on a square quantum dot containing several electrons in the presence of an attractive impurity. The magnetic ordering in the dot is analyzed using appropriate pair-correlation functions. We find that a change in the size of the quantum dot can change the nature of the impurity from nonmagnetic to magnetic. In the low-density regime, the impurity traps one electron and the magnetic moment on the localized peaks outside the impurity fluctuates from negative to positive going through zero as a function of number of electrons. We also observe that the impurity changes the charge densities of excited states of two-electron quantum dot significantly, which in the absence of the impurity are almost similar. Our study also shows that in the strongly correlated regime the configuration-interaction approach yields ~20% more localization than density-functional theory. It has also been observed that only a small fraction of the total number of Slater determinants are required to produce ~99% of the converged charge density.

Item Type:Article
Source:Copyright of this article belongs to American Physical Society.
ID Code:16108
Deposited On:15 Nov 2010 14:12
Last Modified:03 Jun 2011 04:56

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