Magnetic-field manipulation of chemical bonding in artificial molecules

Bernard Kirtman, Benoît Champagne, Feng Long Gu, David M. Bishop

Research output: Contribution to journalArticle

Abstract

The effect of orbital magnetism on the chemical bonding of lateral, two-dimensional artificial molecules is studied in the case of a 2e double quantum dot (artificial molecular hydrogen). It is found that a perpendicular magnetic field reduces the coupling (tunneling) between the individual dots and, for sufficiently high values, it leads to complete dissociation of the artificial molecule. The method used is building on Löwdin's work on projection operators in quantum chemistry; it is a spin-and-space unrestricted Hartree-Fock method in conjunction with the companion step of the restoration of spin and space symmetries via projection techniques (when such symmetries are broken). This method is able to describe the full range of couplings in two-dimensional double quantum dots, from the strong-coupling regime exhibiting delocalized molecular orbitals to the weak-coupling and dissociation regimes associated with a generalized valence bond combination of atomic-type orbitals localized on the individual dots.

Original languageEnglish
Pages (from-to)699-708
Number of pages10
JournalInternational Journal of Quantum Chemistry
Volume90
Issue number2
DOIs
Publication statusPublished - 15 Oct 2002

Fingerprint

Semiconductor quantum dots
manipulators
Magnetic fields
Quantum chemistry
Molecules
Magnetism
Molecular orbitals
magnetic fields
Restoration
molecules
Hydrogen
projection
quantum dots
dissociation
orbitals
quantum chemistry
restoration
broken symmetry
molecular orbitals
valence

Keywords

  • 2e double quantum dot
  • Coupling
  • Delocalized molecular orbitals
  • Orbital magnetism
  • Projection operators

Cite this

Kirtman, Bernard ; Champagne, Benoît ; Gu, Feng Long ; Bishop, David M. / Magnetic-field manipulation of chemical bonding in artificial molecules. In: International Journal of Quantum Chemistry. 2002 ; Vol. 90, No. 2. pp. 699-708.
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Magnetic-field manipulation of chemical bonding in artificial molecules. / Kirtman, Bernard; Champagne, Benoît; Gu, Feng Long; Bishop, David M.

In: International Journal of Quantum Chemistry, Vol. 90, No. 2, 15.10.2002, p. 699-708.

Research output: Contribution to journalArticle

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