Simulation of Si:P spin-based quantum computer architecture

We present realistic simulation for single and double phosphorous donors in a silicon-based quantum computer design by solving a valley-orbit coupled effective-mass equation for describing phosphorous donors in strained silicon quantum well (QW). Using a generalized unrestricted Hartree-Fock method, we solve the two-electron effective-mass equation with quantum well confinement and realistic gate potentials. The effects of QW width, gate voltages, donor separation, and donor position shift on the lowest singlet and triplet energies and their charge distributions for a neighboring donor pair in the quantum computer(QC) architecture are analyzed. The gate tunability are defined and evaluated for a typical QC design. Estimates are obtained for the duration of spin half-swap gate operation.