Shape of polygonal quantum dots and ground-state instability in the spin polarization

Masamu Ishizuki, Hannyo Takemiya, Takuma Okunishi, Kyozaburo Takeda, Kouichi Kusakabe

研究成果: Article

15 引用 (Scopus)

抜粋

We theoretically investigate the ground-state electronic structure and the spin polarization of four electrons confined in two-dimensional (2D) polygonal quantum dots. We employ standard mean-field theory approaches using unrestricted Hartree-Fock (UHF) and density functional theory (DFT) calculations. Resonant UHF configuration interaction (res-UHF CI) calculations were also performed to incorporate the electron correlation more intuitively. Odd polygons (trigons and pentagons) preferentially generate the ground-state triplet as predicted by Hund's rule, whereas even polygons (tetragons, hexagons, and octagons) promote ground-state instability in the spin multiplicity and tend to produce an anti-Hund state of the ground-state singlet with strengthening of the interelectron interaction. The circle, a limited polygon having an infinite number of apexes, divides these odd and even polygons, and the ground-state instability can be well classified by the area of the polygon apexes that protrudes from an equisized circle.

元の言語English
記事番号155316
ジャーナルPhysical Review B - Condensed Matter and Materials Physics
85
発行部数15
DOI
出版物ステータスPublished - 2012 4 18

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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