相关论文: Donor Electron Wave Functions for Phosphorus in Si…

Last year, Salfi et al. made the first direct measurements of a donor wave function and found extremely good theoretical agreement with atomistic tight-binding [Salfi et al., Nat. Mater. 13, 605 (2014)]. Here, we show that multi-valley…

We perform an unitary transformation for the symmetric phonon mode of the Holstein molecular crystal hamiltonian. We show how to compute the electronic spectral functions by exact numerical diagonalisation of an effective hamiltonian fully…

We characterize the single-electron energies and the wavefunction structure of arrays with two, three, and four phosphorus atoms in silicon by implementing atomistic tight-binding calculations and analyzing wavefunction overlaps to identify…

Modulation of donor electron wavefunction via electric fields is vital to quantum computing architectures based on donor spins in silicon. For practical and scalable applications, the donor-based qubits must retain sufficiently long…

This article reviews the current status of lattice-dynamical calculations in crystals, using density-functional perturbation theory, with emphasis on the plane-wave pseudo-potential method. Several specialized topics are treated, including…

The microscopic wave functions of the composite fermion theory can incorporate electron mass anisotropy by a trivial rescaling of the coordinates. These wave functions are very likely adiabatically connected to the actual wave functions of…

We report electrically detected magnetic resonance of phosphorus donors in a silicon field-effect transistor. An on-chip transmission line is used to generate the oscillating magnetic field allowing broadband operation. At milli-kelvin…

This work reports an ESR study of low energy, low fluence phosphorus ion implantation into silicon in order to observe the activation of phosphorus donors placed in close proximity to the Si-SiO2 interface. Electrical measurements, which…

The trial wave function method developed in Ref.s \cite{gutz,brink} for the case of narrow {\it s}-band in a perfect crystal is adapted for calculation of the density dependence of the effective mass and the Lande factor in a dilute…

Accurate prediction of shallow-donor electron binding energies is critical for device modeling, dopant activation, and donor-based quantum technologies. Traditional beyond-DFT approaches (e.g., hybrid functionals, GW) are prohibitively…

The incorporation of phosphorus in silicon is studied by analyzing phosphorus delta-doped layers using a combination of scanning tunneling microscopy, secondary ion mass spectrometry and Hall effect measurements. The samples are prepared by…

The electrical detection of spin echoes via echo tomography is used to observe decoherence processes associated with the electrical readout of the spin state of phosphorus donor electrons in silicon near a SiO$_2$ interface. Using the…

A one-electron Schroedinger equation based on special one-electron potentials for atoms is shown to exist that produces orbitals for an arbitrary molecule that are sufficiently accurate to be used without modification to construct single-…

We present a first-principles framework to extract deformation potentials in Silicon based on density-functional theory (DFT) and density-functional perturbation theory (DFPT). We compute the electronic band structures, phonon dispersion…

We develop a new envelope-function formalism to describe electrons in slowly-varying inhomogeneously strained semiconductor crystals. A coordinate transformation is used to map a deformed crystal back to geometrically undeformed structure…

The standard Hamiltonian of a coupled electron-phonon system is based on second-order perturbation theory. The EPI contribution in the standard Hamiltonian consists of two terms, the EPI contribution to the band-structure energy and the…

Substitutional donor atoms in silicon are promising qubits for quantum computation with extremely long relaxation and dephasing times demonstrated. One of the critical challenges of scaling these systems is determining inter-donor distances…

The interaction between electrons and lattice vibrations determines key physical properties of materials, including their electrical and heat transport, excited electron dynamics, phase transitions, and superconductivity. We present a new…

The general formulas to calculate the phase shifts of wave function of a particle scattering on a target formed by a pair of non-identical zero-range potentials are derived. It is shown that at asymptotically great distances from the target…

Single spin qubits based on phosphorus donors in silicon are a promising candidate for a large-scale quantum computer. Despite long coherence times, achieving uniform magnetic control remains a hurdle for scale-up due to challenges in…