Conduction band tight-binding description for silicon applied to phosphorous donors

A tight-binding parametrization for silicon, optimized to correctly reproduce effective masses as well as the reciprocal space positions of the conduction-band minima, is presented. The reliability of the proposed parametrization is assessed by performing systematic comparisons between the descriptions of donor impurities in Si using this parametrization and previously reported ones. The spectral decomposition of the donor wavefunction demonstrates the importance of incorporating full band effects for a reliable representation, and that an incomplete real space description results from a truncated reciprocal space expansion as proposed within the effective mass theory.Comment: 4 pages, 3 figure

Electric field driven donor-based charge qubits in semiconductors

We investigate theoretically donor-based charge qubit operation driven by external electric fields. The basic physics of the problem is presented by considering a single electron bound to a shallow-donor pair in GaAs: This system is closely related to the homopolar molecular ion H_2^+. In the case of Si, heteropolar configurations such as PSb^+ pairs are also considered. For both homopolar and heteropolar pairs, the multivalley conduction band structure of Si leads to short-period oscillations of the tunnel-coupling strength as a function of the inter-donor relative position. However, for any fixed donor configuration, the response of the bound electron to a uniform electric field in Si is qualitatively very similar to the GaAs case, with no valley quantum interference-related effects, leading to the conclusion that electric field driven coherent manipulation of donor-based charge qubits is feasible in semiconductors

Magnetic field-assisted manipulation and entanglement of Si spin qubits

Architectures of donor-electron based qubits in silicon near an oxide interface are considered theoretically. We find that the precondition for reliable logic and read-out operations, namely the individual identification of each donor-bound electron near the interface, may be accomplished by fine-tuning electric and magnetic fields, both applied perpendicularly to the interface. We argue that such magnetic fields may also be valuable in controlling two-qubit entanglement via donor electron pairs near the interface.Comment: 4 pages, 4 figures. 1 ref and 1 footnote adde

Charge qubits in semiconductor quantum computer architectures: Tunnel coupling and decoherence

We consider charge qubits based on shallow donor electron states in silicon and coupled quantum dots in GaAs. Specifically, we study the feasibility of P$_2^+$ charge qubits in Si, focusing on single qubit properties in terms of tunnel coupling between the two phosphorus donors and qubit decoherence caused by electron-phonon interaction. By taking into consideration the multi-valley structure of the Si conduction band, we show that inter-valley quantum interference has important consequences for single-qubit operations of P$_2^+$ charge qubits. In particular, the valley interference leads to a tunnel-coupling strength distribution centered around zero. On the other hand, we find that the Si bandstructure does not dramatically affect the electron-phonon coupling and consequently, qubit coherence. We also critically compare charge qubit properties for Si:P$_2^+$ and GaAs double quantum dot quantum computer architectures.Comment: 10 pages, 3 figure

Polarons in Carbon Nanotubes

We use ab initio total-energy calculations to predict the existence of polarons in semiconducting carbon nanotubes (CNTs). We find that the CNTs' band edge energies vary linearly and the elastic energy increases quadratically with both radial and with axial distortions, leading to the spontaneous formation of polarons. Using a continuum model parametrized by the ab initio calculations, we estimate electron and hole polaron lengths, energies and effective masses and analyze their complex dependence on CNT geometry. Implications of polaron effects on recently observed electro- and opto-mechanical behavior of CNTs are discussed.Comment: Revtex preprint format, 12 pages, 2 eps figures, source in LaTeX. Accepted for publication in Physical Review Letter