Related papers: Multi-valley envelope function equations and effec…
We calculate the electronic wave-function for a phosphorus donor in silicon by numerical diagonalisation of the donor Hamiltonian in the basis of the pure crystal Bloch functions. The Hamiltonian is calculated at discrete points localised…
Valley splitting in strained Si/SiGe quantum wells is a central parameter for silicon spin qubits and is commonly described with envelope-function and effective-mass theories. These models provide a computationally efficient continuum…
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 present a rigorous method to reduce the three-dimensional (3D) description of a quantum dot in silicon to an effective two-dimensional (2D) envelope function theory for electron spin qubits. By systematically integrating out the strongly…
Using the effective mass theory and the multi-valley envelope function representation, we have developed a theoretical framework for computing the single-electron electronic structure of several phosphorus donors interacting in an arbitrary…
We present a complete theoretical treatment of Stark effects in doped silicon, whose predictions are supported by experimental measurements. A multi-valley effective mass theory, dealing non-perturbatively with valley-orbit interactions…
Donor spin in silicon have achieved record values of coherence times and single-qubit gate fidelities. The next stage of development involves demonstrating high-fidelity two-qubit logic gates, where the most natural coupling is the exchange…
Tunneling is a fundamental quantum process with no classical equivalent, which can compete with Coulomb interactions to give rise to complex phenomena. Phosphorus dopants in silicon can be placed with atomic precision to address the…
We present density functional theory calculations of phosphorus dopants in bulk silicon and of several properties relating to their use as spin qubits for quantum computation. Rather than a mixed pseudopotential or a Heitler-London…
Excitations of impurity complexes in semiconductors can not only provide a route to fill the terahertz gap in optical technologies, but can also connect local quantum bits to scale up solid-state quantum-computing devices. However, taking…
Donor-based quantum devices in silicon are attractive platforms for universal quantum computing and analog quantum simulations. The nearly-atomic precision in dopant placement promises great control over the quantum properties of these…
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…
Donors in silicon are now demonstrated as one of the leading candidates for implementing qubits and quantum information processing. Single qubit operations, measurements and long coherence times are firmly established, but progress on…
Spins of single donor atoms are attractive candidates for large scale quantum information processing in silicon, since quantum computation can be realized through the manipulation of electron and/or nuclear spins. We here report on…
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…
A new scheme for constructing approximate effective electron potentials within density-functional theory is proposed. The scheme consists of calculating the effective potential for a series of reference systems, and then using these…
We present a systematic and realistic simulation for single and double phosphorous donors in a silicon-based quantum computer design. A two-valley equation is developed to describe the ground state of phosphorous donors in strained silicon…
Atomic-scale understanding of phosphorous donor wave functions underpins the design and optimisation of silicon based quantum devices. The accuracy of large-scale theoretical methods to compute donor wave functions is dependent on…
A Pearson Effective Potential model for including quantization effects in the simulation of nanoscale nMOSFETs has been developed. This model, based on a realistic description of the function representing the non zero-size of the electron…
We utilize Bardeen's tunneling theory to calculate intra- and interorbital hopping integrals between phosphorus donors in silicon using known orbital wave functions. While the two-donor problem can be solved directly, the knowledge of…