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Phys. Rev. B 69, 235326 (2004) [10 pages]

Electron-electron interactions in isolated and realistic quantum dots: A density functional theory study

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Hong Jiang1,2,3, Denis Ullmo2,4, Weitao Yang1,*, and Harold U. Baranger2,†
1Department of Chemistry, Duke University, Durham, North Carolina 27708-0354, USA
2Department of Physics, Duke University, Durham, North Carolina 27708-0305, USA
3College of Chemistry and Molecular Engineering, Peking University, Beijing, China 100871
4Laboratoire de Physique Théorique et Modèles Statistiques (LPTMS), 91405 Orsay Cedex, France

Received 6 January 2004; revised 5 April 2004; published 29 June 2004

We use Kohn-Sham spin-density-functional theory to study the statistics of ground-state spin and the spacing between conductance peaks in the Coulomb blockade regime for both two-dimensional isolated and realistic quantum dots. We make a systematic investigation of the effects of electron-electron interaction strength and electron number on both the peak spacing and spin distributions. A direct comparison between the distributions from isolated and realistic dots shows that, despite the difference in the boundary conditions and confining potential, the statistical properties are qualitatively the same. Strong even/odd pairing in the peak spacing distribution is observed only in the weak e-e interaction regime and vanishes for moderate interactions. The probability of high spin ground states increases for stronger e-e interaction and seems to saturate around rs∼4. The saturated value is larger than previous theoretical predictions. Both spin and conductance peak spacing distributions show substantial variation as the electron number increases, not saturating until N∼150. To interpret our numerical results, we analyze the spin distribution in the even N case using a simple two-level model.

© 2004 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.69.235326
DOI:
10.1103/PhysRevB.69.235326
PACS:
73.23.Hk, 73.40.Gk, 73.63.Kv

*Electronic mail: weitao.yang@duke.edu

Electronic mail: baranger@phy.duke.edu.