The discovery of efficient quantum algorithms a decade ago has shown that a quantum computer encoding and processing information quantum mechanically, can solve important problems intractable with conventional computers. The invention of quantum error correction principle, makes quantum computation possibly fault-tolerant against the decoherence of information carriers. Thereafter, intensive research activities have been made toward the implementation of quantum computation with various realistic quantum systems. Among them, the most attractive implementation proposals are using silicon-based materials, which have the advantage of borrowing the existing ingenuity and resources accumulated during the development of modern microelectronics. In this dissertation we investigate several theoretical aspects of a silicon- based quantum computer in which qubits are represented by the spins of electrons bound to phosphorous donors in silicon. Encoding each qubit in terms of three neighboring donor electron spins, we can realize universal quantum gate operations with only the Heisenberg exchange coupling J S1 •S2 between neighboring donors. Therefore, studying the exchange coupling for a phosphorous donor pair in silicon is of central importance for providing the experimentalists with qualitative insights and quantitative guidance for building such a silicon quantum computer. After giving some general considerations on the quantum computer architecture, we develop the necessary theoretical tools. A multi-valley effective mass equation is derived and discussed, to handle impurities in a multi-valley semiconductor. Then we apply it to solve a single Si:P donor embedded in our quantum computer architecture. We show that the width of the silicon quantum well can significantly influence the energy splitting and charge distributions of the ground state. Oscillation of level splitting is observed as the quantum well width or donor position is varied at atomic scale. Elementary gate operations for 3-donor-spin qubits involve a neighboring pair of donors at each step. The exchange coupling in Heisenberg model hamiltonian, defined as the energy splitting of the lowest singlet and triplet states, has to be calculated from the realistic two-donor hamiltonian. We discuss several popular methods to solve the two-donor problem and develop an appropriate extended Hartree-Fock method that can give reliable results for a well-separated donor pair subject to tunable coupling. This method is first applied to a Si:P donor pair in the framework of hydrogenic effective mass theory, to study how to tune the exchange coupling with simple gate potentials. A followed study shows that under a parallel electric field the singlet and triplet states exhibit very different polarization behaviors. This difference can be exploited to measure the state of an electron spin. We also show that, a perpendicular electric field cannot tune the exchange coupling efficiently. Then we apply the realistic multi-valley effective mass equation, coupled with a realistic modeling of the potential generated by gate electrodes, to a pair of phosphorous donors in silicon quantum well. By varying the gate electrode voltages, the exchange coupling can be tuned with exponential efficiency in a wide range. We find that, for best performance, we need to set the quantum well width to be around 10 nm, and the donor separation to be around 10 a∗ b---- 24nm in the doping plane. We analyze in detail an adiabatic half-swap operation between neighboring donor spins. The gate operation time is estimated to be 0.2 ns, which satisfies the constraints put by the donor spin decoherence time and by the validity of adiabatic approximation. The interference between different valley components could lead to oscillations of exchange coupling as donor positions are shifted by occasion. We find the exchange oscillation persists even with only two relevant valleys for donors in a strongly-strained silicon quantum well. It is also shown that the oscillation induced by changing donor separation at atomic scale is strongly suppressed as donors approach each other. Finally, we study the entanglement issue in quantum computing context. We analyze the low-energy Hilbert space for a pair of qubits encoded by localized electron spins and suggest a suitable measure to describe the entanglement between qubits involving indistinguishable electrons and in the presence of leakage errors. The dynamics of inter-qubit entanglement during a gate operation is also studied.
The discovery of efficient quantum algorithms a decade ago has shown that a quantum computer encoding and processing information quantum mechanically, can solve important problems intractable with conventional computers. The invention of quantum error correction principle, makes quantum computation possibly fault-tolerant against the decoherence of information carriers. Thereafter, intensive research activities have been made toward the implementation of quantum computation with various realistic quantum systems. Among them, the most attractive implementation proposals are using silicon-based materials, which have the advantage of borrowing the existing ingenuity and resources accumulated during the development of modern microelectronics. In this dissertation we investigate several theoretical aspects of a silicon- based quantum computer in which qubits are represented by the spins of electrons bound to phosphorous donors in silicon. Encoding each qubit in terms of three neighboring donor electron spins, we can realize universal quantum gate operations with only the Heisenberg exchange coupling J S1 •S2 between neighboring donors. Therefore, studying the exchange coupling for a phosphorous donor pair in silicon is of central importance for providing the experimentalists with qualitative insights and quantitative guidance for building such a silicon quantum computer. After giving some general considerations on the quantum computer architecture, we develop the necessary theoretical tools. A multi-valley effective mass equation is derived and discussed, to handle impurities in a multi-valley semiconductor. Then we apply it to solve a single Si:P donor embedded in our quantum computer architecture. We show that the width of the silicon quantum well can significantly influence the energy splitting and charge distributions of the ground state. Oscillation of level splitting is observed as the quantum well width or donor position is varied at atomic scale. Elementary gate operations for 3-donor-spin qubits involve a neighboring pair of donors at each step. The exchange coupling in Heisenberg model hamiltonian, defined as the energy splitting of the lowest singlet and triplet states, has to be calculated from the realistic two-donor hamiltonian. We discuss several popular methods to solve the two-donor problem and develop an appropriate extended Hartree-Fock method that can give reliable results for a well-separated donor pair subject to tunable coupling. This method is first applied to a Si:P donor pair in the framework of hydrogenic effective mass theory, to study how to tune the exchange coupling with simple gate potentials. A followed study shows that under a parallel electric field the singlet and triplet states exhibit very different polarization behaviors. This difference can be exploited to measure the state of an electron spin. We also show that, a perpendicular electric field cannot tune the exchange coupling efficiently. Then we apply the realistic multi-valley effective mass equation, coupled with a realistic modeling of the potential generated by gate electrodes, to a pair of phosphorous donors in silicon quantum well. By varying the gate electrode voltages, the exchange coupling can be tuned with exponential efficiency in a wide range. We find that, for best performance, we need to set the quantum well width to be around 10 nm, and the donor separation to be around 10 a∗ b---- 24nm in the doping plane. We analyze in detail an adiabatic half-swap operation between neighboring donor spins. The gate operation time is estimated to be 0.2 ns, which satisfies the constraints put by the donor spin decoherence time and by the validity of adiabatic approximation. The interference between different valley components could lead to oscillations of exchange coupling as donor positions are shifted by occasion. We find the exchange oscillation persists even with only two relevant valleys for donors in a strongly-strained silicon quantum well. It is also shown that the oscillation induced by changing donor separation at atomic scale is strongly suppressed as donors approach each other. Finally, we study the entanglement issue in quantum computing context. We analyze the low-energy Hilbert space for a pair of qubits encoded by localized electron spins and suggest a suitable measure to describe the entanglement between qubits involving indistinguishable electrons and in the presence of leakage errors. The dynamics of inter-qubit entanglement during a gate operation is also studied.
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 a strained silicon quantum well (QW), with the central cell effect treated by a model impurity potential. The valley splitting of the donor ground state as a function of QW width or donor position is calculated and a comparison with the valley splitting of the lowest QW states is presented. Oscillation of the valley splitting is observed as the QW width or donor position is varied at atomic scale. We find that the increase of quantum well confinement leads to shrinking charge distribution in all three dimensions. Using an unrestricted Hartree-Fock method with generalized valence bond (GVB) single-particle wave functions, we are able to solve the two-electron Schr\"odinger equation with quantum well confinement and realistic gate potentials. The lowest singlet and triplet energies and their charge distributions for a neighboring donor pair in the quantum computer (QC) architecture are obtained at different gate voltages. The effects of QW width, gate voltages, donor separation, and donor position shift are calculated and analyzed. The gate tunability and gate fidelity are defined and evaluated, for a typical QC design. Estimates are obtained for the duration of spin-half-swap gate operation and the required accuracy in voltage control. A strong exchange oscillation is observed as both donors are shifted along [001] axis but with their separation unchanged. Applying a gate potential tends to suppress the oscillation. The exchange oscillation as a function of donor separation along [100] axis is found to be completely suppressed as the donor separation is decreased. The simulation presented in this paper is of importance to the practical design of an exchange-based silicon quantum computer.
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.
Abstract Donor spins 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 interaction. To aid the efficient design of scalable donor-based quantum processors, we model the two-electron wave function using a full configuration interaction method within a multi-valley effective mass theory. We exploit the high computational efficiency of our code to investigate the exchange interaction, valley population, and electron densities for two phosphorus donors in a wide range of lattice positions, orientations, and as a function of applied electric fields. The outcomes are visualized with interactive images where donor positions can be swept while watching the valley and orbital components evolve accordingly. Our results provide a physically intuitive and quantitatively accurate understanding of the placement and tuning criteria necessary to achieve high-fidelity two-qubit gates with donors in silicon.
In the Kane silicon-based electron-mediated nuclear spin quantum computer architecture, phosphorous is doped at precise positions in a silicon lattice, and the P donor nuclear spins act as qubits. Logical operations on the nuclear spins are performed using externally applied magnetic and electric fields. There are two important interactions: the hyperfine and exchange interactions, crucial for logical qubit operations. Single qubit operations are performed by applying radio frequency magnetic fields resonant with targeted nuclear spin transition frequencies, tuned by the gate-controlled hyperfine interaction. Two qubit operations are mediated through the exchange interaction between adjacent donor electrons. It is important to examine how these two interactions vary as functions of experimental parameters. Here we provide such an investigation. First, we examine the effects of varying several experimental parameters: gate voltage, inter donor separation, donor depth below the silicon oxide interface and back gate depth, to explore how these variables affect the donor electro density. Second, we calculate the hyperfine interaction and the exchange coupling as a function of these parameters. These calculations were performed using an anisotropic effective mass Hamiltonian. The electric field potential was obtained using Technology Computer Aided Design software, and the interfaces were modelled as a barrier using a step function. We aim to provide relevant information for the experimental design of these devices and highlight the significance of environmental factors other than gate potential that affect the donor electron.
Quantum physics governs the world at the microscopic scale and determines the properties of matter. While classical computers exploit quantum phenomena passively by relying on transistor technology, the concept of a quantum computer with active control over quantum states promises unprecedented possibilities for information encoding and processing. Already developed quantum algorithms are known to perform certain tasks faster than any existing classical algorithms, and quantum computers also promise the possibility for precise simulations of complex quantum systems, a task infeasible for classical computers. These points emphasize the need for the development of quantum computers. Considering quantum computers, the fundamental unit of information is a qubit, a two-level quantum system. Qubits, in contrast to classical bits which are either in state 0 or 1, can exist in quantum superposition of the states 0 and 1, allowing for more complex and parallel computations. While there are many options to encode a logical qubit in a physical system, spin 1/2 particles are considered a natural choice because their spin degree of freedom defines a qubit intrinsically. Semiconductors are a promising platform for hosting spin qubits, as they enable the confinement of electrons with spin 1/2 either through gate-defined quantum dots (QDs) or donor atoms. Among the possible choices of donor atoms, phosphorous 31P is particularly noteworthy because its nucleus has nuclear spin 1/2. Nuclear spins are prime candidates for qubit implementation because they demonstrated exceptionally long coherence times, but the underlying good isolation from their environment is a challenge when it comes to readout and control. In this thesis, we face this challenge by proposing a hybrid quantum dot-donor (QDD) system consisting of a gate defined silicon (Si) QD and a thereto laterally displaced 31P phosphorous donor atom implanted in the Si host material. A single electron is presumed to be confined in the system, which can be moved between the QD and the donor on demand. If its wave function overlaps with the donor atom, electron spin and the donor nuclear spin interact via the hyperfine interaction and the electron can act as a mediator between the nuclear spin qubit and the environment for readout and control, whereas the nuclear spin qubit can be set in an idling mode by shifting the electron to the QD. Importantly, the proposed system can be embedded in circuit quantum electrodynamics (cQED) architectures enabling strong coupling between the system’s electron spin and microwave resonator photons. This coupling is fundamental for the research presented in this thesis. Analyzing the envisioned system, we first propose a novel method for nuclear-spin readout by probing the resonator transmission. This method is based on the observation that the signature of strong electron spin-photon coupling in the resonator transmission is altered due to the hyperfine interaction, in such a manner that well separated signatures for the electron spin-photon coupling conditioned on the state of the nuclear spin arise. As the next step, we turn our attention to the control of nuclear spin qubits and especially to the challenge of realizing a two-qubit gate between distant nuclear spins. In this course, we derive an effective nuclear spin-photon coupling. While expected to be weak, this interaction can be harnessed to couple the nuclear spins of two distant QDD systems dispersively to a microwave resonator resulting in an entangling nuclear spin two-qubit √iSWAP gate with a gate fidelity approaching 90%. These two key findings represent a significant and valuable contribution to the field of quantum information processing using nuclear spins.
Recent experimental efforts have led to considerable interest in donor-based localized electron spins in Si as viable qubits for a scalable silicon quantum computer. With the use of isotopically purified 28Si and the realization of extremely long spin coherence time in single-donor electrons, the recent experimental focus is on two-coupled donors with the eventual goal of a scaled-up quantum circuit. Motivated by this development, we simulate the statistical distribution of the exchange coupling J between a pair of donors under realistic donor placement straggles, and quantify the errors relative to the intended J value. With J values in a broad range of donor-pair separation (5<|R|<60 nm), we work out various cases systematically, for a target donor separation R0 along the [001], [110] and [111] Si crystallographic directions, with |R0|=10,20 or 30 nm and standard deviation σR=1,2,5 or 10 nm. Our extensive theoretical results demonstrate the great challenge for a prescribed J gate even with just a donor pair, a first step for any scalable Si-donor-based quantum computer.