We calculate, via spin density functional theory (SDFT) and exact diagonalization, the eigenstates for electrons in a variety of external potentials, including double and triple dots. The SDFT calculations employ realistic wafer profiles and gate geometries and also serve as the basis for the exact diagonalization calculations. The exchange interaction J between electrons is the difference between singlet and triplet ground state energies and reflects competition between tunneling and the exchange matrix element, both of which result from overlap in the barrier. For double dots, a characteristic transition from singlet ground state to triplet ground state (positive to negative J) is calculated. For the triple dot geometry with 2 electrons we also find the electronic structure with exact diagonalization. For larger electron number (18 and 20) we use only SDFT. In contrast to the double dot case, the triple dot case shows a quasi-periodic fluctuation of J with magnetic field which we attribute to periodic variations of the basis states in response to changing flux quanta threading the triple dot structure. 73.21.La; 03.67.Lx; 71.15.Mb The spin state of electrons in multiple quantum dot assemblies formed in two dimensional electron gas (2DEG) semiconductor heterostructures is determined by exchange interactions between the electrons and not, generally, by the much smaller magnetic dipole interactions between the spins. In the simplest case of two electrons in two dots (artificial molecular hydrogen) competition between exchange, which favors spin alignment (spin triplet), and tunneling, which delocalizes the electrons and tends [1] to favor spin anti-alignment (spin singlet) can be modulated by a magnetic field and is sensitive to the precise geometric nature of the tunnel barrier separating the two dots [2]. The exchange splitting J is defined as the energy difference between the ground state triplet and the ground state singlet (and is distinct from the exchange integral which is one of the Coulomb matrix elements between two-electron states) and is crucial to the implementation of various schemes of quantum computation [3].
PACS:In this paper, we study the spin state of double and triple quantum dots (in a ring configuration) as a function of electron number N, magnetic field B, and the various gate voltages and gate geometries controlling the height and shape of the barriers between the dots. We briefly describe results of N = 2 exact diagonalization calculations in a realistic double dot geometry (more details for this case can be found in Ref. [4]) and then focus on the triple quantum dot. This latter case we explore in two regimes with two methods. First, we extend the N = 2 exact diagonalization method to the three-dot case. Next, we consider the case of many electrons calculated within spin density functional theory (SDFT). The triple dot stability diagram [5,6] identifies, in particular, the N = 20 case as similar to the N = 2 case. Specifically, since 18 electrons constitute a filled shell (for the tr...