### 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 |
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記事番号 | 155316 |

ジャーナル | Physical Review B - Condensed Matter and Materials Physics |

巻 | 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

## フィンガープリント Shape of polygonal quantum dots and ground-state instability in the spin polarization' の研究トピックを掘り下げます。これらはともに一意のフィンガープリントを構成します。

## これを引用

*Physical Review B - Condensed Matter and Materials Physics*,

*85*(15), [155316]. https://doi.org/10.1103/PhysRevB.85.155316