Gate control of phosphorus donor based charge qubits in Si is investigated using a tight-binding approach. Excited molecular states of P2+ are found to impose limits on the allowed donor separations and operating gate voltages. The effects of surface (S) and barrier (B) gates are analyzed in various voltage regimes with respect to the quantum confined states of the whole device. Effects such as interface ionization, saturation of the tunnel coupling, sensitivity to donor and gate placement are also studied. It is found that realistic gate control is smooth for any donor separation, although at certain donor orientations the S and B gates may get switched in functionality. This paper outlines and analyzes the various issues that are of importance in practical control of such donor molecular systems.
Donor electron spins in semiconductors make exceptional quantum bits because of their long coherence times and compatibility with industrial fabrication techniques. Despite many advances in donor-based qubit technology, it remains difficult to selectively manipulate single donor electron spins. Here, we show that by replacing the prevailing semiconductor host material (silicon) with germanium, donor electron spin qubits can be electrically tuned by more than an ensemble linewidth, making them compatible with gate addressable quantum computing architectures. Using X-band pulsed electron spin re…
We propose a method to electrically control electron spins in donor-based qubits in silicon. By taking advantage of the hyperfine coupling difference between a single-donor and a two-donor quantum dot, spin rotation can be driven by inducing an electric dipole between them and applying an alternating electric field generated by in-plane gates. These qubits can be coupled with exchange interaction controlled by top detuning gates. The qubit device can be fabricated deep in the silicon lattice with atomic precision by scanning tunneling probe technique. We have combined a large-scale full band a…
Single electron transistor (SET) is an advanced tool to exploit in quantum devices. Working of such devices at room-temperature is essential for practical utilization. Dopant based single-electron devices are well studied at low-temperature although a few devices are developed for high-temperature operation with certain limitations. Here, we propose and theoretically exhibit that nitrogen (N) donor in silicon is an important candidate for effective designing of such devices. Theoretical calculation of density-of-states using semi-empirical DFT method indicates that N-donor in silicon has deep …
Deterministic control over the location and number of donors is crucial to donor spin quantum bits (qubits) in semiconductor based quantum computing. In this work, a focused ion beam is used to implant antimony donors close to quantum dots. Ion detectors are integrated next to the quantum dots to sense the implants. The numbers of donors implanted can be counted to a precision of a single ion. In low-temperature transport measurements, regular coulomb blockade is observed from the quantum dots. Charge offsets indicative of donor ionization are also observed in devices with counted donor implan…
Donors in silicon can now be positioned with an accuracy of about one lattice constant, making it possible in principle to form donor arrays for quantum computation or quantum simulation applications. However the multi-valley character of the silicon conduction band combines with central cell corrections to the donor state Hamiltonian to translate atomic scale imperfections in donor placement into strongly disordered inter-donor hybridization. We present a simple model that is able to account accurately for central-cell corrections, and use it to assess the impact of donor-placement disorder o…
Shallow donor wavefunctions and donor-pair exchange in silicon: Ab initio theory and floating-phase Heitler-London approach
硅中浅施主的电子和核自旋是量子计算机中量子比特的有吸引力的候选者。浅施主交换门经常被调用来执行这种提议中的两个量子比特操作。本文采用密度泛函和赝势框架下的{ \it ab initio}计算方法，结合Si导带六个带边的全Bloch态，采用Kohn-Luttinger包络函数方法研究了Si中浅施主电子的性质.硅的导带边态之间的谷间干涉导致单电子束缚态电荷分布和双电子态交换耦合的振荡行为。施体电子电荷分布的行为受到来自Bloch函数的平面波和周期部分的干扰的强烈影响。对于两个捐助者，在海特勒-伦敦（HL）的方法内计算的交换耦合的振荡是由于单独的布洛赫函数的平面波部分，这是钉扎到杂质网站。该结果的鲁棒性通过放松对供体位点的相位钉扎来评估。我们介绍了一个更一般的理论方案，浮动相HL，从以前报道的施主交换振荡行为定性和定量证实。浮相形式主义提供了一个“假设”，即如何在理论上预测与更一般的限制势（如量子点）中的电子束缚态相关的电子特性中振荡行为的发生。
We unravel theoretically a key intrinsic relaxation mechanism among the low-lying singlet and triplet donor-pair states in silicon, an important element in the fast-developing field of spintronics and quantum computation. Despite the perceived weak spin-orbit coupling (SOC) in Si, we find that our discovered relaxation mechanism, combined with the electron-phonon and inter-donor interactions, dominantly drives the transitions in the two-electron states over a large range of donor coupling regime. The scaling of the relaxation rate with inter-donor exchange interaction $J$ goes from $J^5$ to $J…
A scaled quantum computer with donor spins in silicon would benefit from a viable semiconductor framework and a strong inherent decoupling of the qubits from the noisy environment. Coupling neighbouring spins via the natural exchange interaction according to current designs requires gate control structures with extremely small length scales. We present a silicon architecture where bismuth donors with long coherence times are coupled to electrons that can shuttle between adjacent quantum dots, thus relaxing the pitch requirements and allowing space between donors for classical control devices. …
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 $^{28}$Si 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 error…
Phosphorus donor impurities in silicon are a promising candidate for solid-state quantum computing due to their exceptionally long coherence times and high fidelities. However, individual addressability of exchange coupled donor qubits with separations ~15nm is challenging. Here we show that by using atomic-precision lithography we can place a single P donor next to a 2P molecule 16(+/-1)nm apart and use their distinctive hyperfine coupling strengths to address qubits at vastly different resonance frequencies. In particular the single donor yields two hyperfine peaks separated by 97(+/-2.5)MHz…
The s manifold energy levels for phosphorus donors in silicon are important input parameters for the design and modelling of electronic devices on the nanoscale. In this paper we calculate these energy levels from first principles using density functional theory. The wavefunction of the donor electron's ground state is found to have a form that is similar to an atomic s orbital, with an effective Bohr radius of 1.8 nm. The corresponding binding energy of this state is found to be 41 meV, which is in good agreement with the currently accepted value of 45.59 meV. We also calculate the energies o…
We investigate the electrical control of the exchange coupling (J) between donor bound electrons in silicon with a detuning gate bias, crucial for the implementation of the two-qubit gate in a silicon quantum computer. We find the asymmetric 2P-1P system provides a highly tunable exchange-curve with mitigated J-oscillation, in which 5 orders of magnitude change in the exchange energy can be achieved using a modest range of electric field for 15 nm qubit separation. Compared to the barrier gate control of exchange in the Kane qubit, the detuning gate design reduces the demanding constraints of …
Implicit summation is a technique for the conversion of sums over intermediate states in multiphoton absorption and the high-order susceptibility in hydrogen into simple integrals. Here, we derive the equivalent technique for hydrogenic impurities in multi-valley semiconductors. While the absorption has useful applications, it is primarily a loss process; conversely, the non-linear susceptibility is a crucial parameter for active photonic devices. For Si:P, we predict the hyperpolarizability ranges from $χ^{(3)}/n_{\text{3D}}=2.9 $ to $580 \times 10^{-38}$ $\text{m}^5/\text{V}^2$ depending on …
Two-electron states bound to donors in silicon are important for both two qubit gates and spin readout. We present a full configuration interaction technique in the atomistic tight-binding basis to capture multi-electron exchange and correlation effects taking into account the full bandstructure of silicon and the atomic scale granularity of a nanoscale device. Excited $s$-like states of $A_1$-symmetry are found to strongly influence the charging energy of a negative donor centre. We apply the technique on sub-surface dopants subjected to gate electric fields, and show that bound triplet state…
Architecture for high-sensitivity single-shot readout and control of the electron spin of individual donors in silicon
我们描述了一种方法来控制和检测在单次拍摄的单个施主在硅中的电子自旋状态，大大提高了灵敏度。硅基单电子晶体管（SET）允许在读出阶段期间施主电子的自旋相关隧穿直接进入SET岛。模拟结果表明，电荷转移信号通常是Δq > 0.2 e -，比SiO2表面上的金属SET可实现的大一个数量级。通过增加一条局域电子自旋共振线进行相干自旋控制，得到了一个完整的基于自旋的量子比特结构。这种架构非常适合于演示和研究施主电子自旋的相干特性，但可以扩展并与经典控制电子学集成。
Dopant atoms are ubiquitous in semiconductor technologies, providing the tailored electronic properties that underpin the modern digital information era. Harnessing the quantum nature of these atomic-scale objects represents a new and exciting technological revolution. In this article we describe the use of ion-implanted donor spins in silicon for quantum technologies. We review how to fabricate and operate single-atom spin qubits in silicon, obtaining some of the most coherent solid-state qubits, and we discuss pathways to scale up these qubits to build large quantum processors. Heavier group…
We demonstrate the possibility of engineering a single donor transistor directly from a phosphorous doped quantum dot by making use of the intrinsic glassy behaviour of the structure as well as the complex electron dynamics during cooldown. Characterisation of the device at low temperatures and in magnetic field shows single donors can be electrostatically isolated near one of the tunnel barrier with either a single or a doubly occupancy. Such a model is well supported by capacitance-based simulations. Ability of using the D0 of such isolated donor as a charge detector is demonstrated by obser…
Donor impurity spins in silicon-28 are highly competitive qubits for upcoming solid-state quantum technologies, yet a proven scalable strategy for multi-qubit devices remains conspicuously absent. These CMOS-compatible, atomically identical qubits offer significant advantages including 3-hour coherence ($T_2$) lifetimes, as well as simultaneous qubit initialization, manipulation and readout fidelities near $\sim\!99.9\%$. These properties meet the requirements for many modern quantum error correction protocols, which are essential for constructing large-scale universal quantum technologies. Ho…
We construct a model to study the localization properties of nanowires of dopants in silicon (Si) fabricated by precise ionic implantation or STM lithography. Experiments have shown that Ohm's law holds in some cases, in apparent defiance to the Anderson localization theory in one dimension. We investigate how valley interference affects the traditional theory of electronic structure of disordered systems. Each isolated donor orbital is realistically described by multi-valley effective mass theory (MV-EMT). We extend this model to describe chains of donors as a linear combination of dopant orb…
Shifts from the expected nuclear magnetic resonance frequencies of antimony and bismuth donors in silicon of greater than a megahertz are observed in electrically detected magnetic resonance spectra. Defects created by ion implantation of the donors are discussed as the source of effective electric field gradients generating these shifts via quadrupole interaction with the nuclear spins. The experimental results are modeled quantitatively by molecular orbital theory for a coupled pair consisting of a donor and a spin-dependent recombination readout center.
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 geometrical configuration in silicon taking into account the valley-orbit coupling. The methodology is applied to three coupled phosphorus donors, arranged in a linear chain and in a triangle, and to six donors arranged in a regular hexagon. The results of the simulations evidence that the valley composition of the single-electron states strongly depends on…
We experimentally study the coupling of Group V donor spins in silicon to mechanical strain, and measure strain-induced frequency shifts which are linear in strain, in contrast to the quadratic dependence predicted by the valley repopulation model (VRM), and therefore orders of magnitude greater than that predicted by the VRM for small strains $|\varepsilon| < 10^{-5}$. Through both tight-binding and first principles calculations we find that these shifts arise from a linear tuning of the donor hyperfine interaction term by the hydrostatic component of strain and achieve semi-quantitative agre…
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 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…
