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Strain is extensively used to controllably tailor the electronic properties of materials. In the context of indirect band-gap semiconductors such as silicon, strain lifts the valley degeneracy of the six conduction band minima, and by extension the valley states of electrons bound to phosphorus donors. Here, single phosphorus atoms are embedded in an engineered thin layer of silicon strained to 0.8% and their wave function imaged using spatially resolved spectroscopy. A prevalence of the out-of-plane valleys is confirmed from the real-space images, and a combination of theoretical modelling tools is used to assess how this valley repopulation effect can yield isotropic exchange and tunnel interactions in the $xy$-plane relevant for atomically precise donor qubit devices. Finally, the residual presence of in-plane valleys is evidenced by a Fourier analysis of both experimental and theoretical images, and atomistic calculations highlight the importance of higher orbital excited states to obtain a precise relationship between valley population and strain. Controlling the valley degree of freedom in engineered strained epilayers provides a new competitive asset for the development of donor-based quantum technologies in silicon.

Silicon is a leading qubit platform thanks to the exceptional coherence times that can be achieved and to the available commercial manufacturing platform for integration. Building scalable quantum processing architectures relies on accurate quantum state manipulation, which can only be achieved through a complete understanding of the underlying quantum state properties. This article reviews the electrical methods that have been developed to probe the quantum states encoded in individual and interacting atom qubits in silicon, from the pioneering single electron tunneling spectroscopy framework in nanoscale transistors, to radio frequency reflectometry to probe coherence properties and scanning tunneling microscopy to directly image the wave function at the atomic scale. Together with the development of atomistic simulations of realistic devices, these methods are today applied to other emerging dopant and optically addressable defect states to accelerate the engineering of quantum technologies in silicon., Comment: An edited version of this manuscript will appear in MRS Bulletin

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 different regimes arising from this competition. However, they exploit wavefunctions relying on crystal band symmetries, which tunneling interactions are inherently sensitive to. Here we directly image lattice-aperiodic valley interference between coupled atoms in silicon using scanning tunneling microscopy. Our atomistic analysis unveils the role of envelope anisotropy, valley interference and dopant placement on the Heisenberg spin exchange interaction. We find that the exchange can become immune to valley interference by engineering in-plane dopant placement along specific crystallographic directions. A vacuum-like behaviour is recovered, where the exchange is maximised to the overlap between the donor orbitals, and pair-to-pair variations limited to a factor of less than 10 considering the accuracy in dopant positioning. This robustness remains over a large range of distances, from the strongly Coulomb interacting regime relevant for high-fidelity quantum computation to strongly coupled donor arrays of interest for quantum simulation in silicon.

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 high-frequency magnetic field control at the nanometre-scale. Here, we present a proposal for a flopping-mode electric dipole spin resonance qubit based on the combined electron and nuclear spin states of a double phosphorus donor quantum dot. The key advantage of utilising a donor-based system is that we can engineer the number of donor nuclei in each quantum dot. By creating multi-donor dots with antiparallel nuclear spin states and multi-electron occupation we can minimise the longitudinal magnetic field gradient, known to couple charge noise into the device and dephase the qubit. We describe the operation of the qubit and show that by minimising the hyperfine interaction of the nuclear spins we can achieve $\pi/2-X$ gate error rates of $\sim 10^{-4}$ using realistic noise models. We highlight that the low charge noise environment in these all-epitaxial phosphorus-doped silicon qubits will facilitate the realisation of strong coupling of the qubit to superconducting microwave cavities allowing for long-distance two-qubit operations., Comment: Main text: 8 pages, 4 figures. Appendix: 9 page, 3 figures

Spins in the `semiconductor vacuum' of silicon-28 ($^{28}$Si) are suitable qubit candidates due to their long coherence times. An isotopically purified substrate of $^{28}$Si is required to limit the decoherence pathway caused by magnetic perturbations from surrounding $^{29}$Si nuclear spins (I=1/2), present in natural Si (nat Si) at an abundance of 4.67%. We isotopically enrich surface layers of nat Si by sputtering using high fluence $^{28}$Si$^-$ implantation. Phosphorus (P) donors implanted into one such $^{28}$Si layer with ~3000 ppm $^{29}$Si, produced by implanting 30 keV $^{28}$Si$^-$ ions at a fluence of 4x10^18 cm^-2, were measured with pulsed electron spin resonance, confirming successful donor activation upon annealing. The mono-exponential decay of the Hahn echo signal indicates a depletion of $^{29}$Si. A coherence time of T2 = 285 +/- 14 us is extracted, which is longer than that obtained in nat Si for similar doping concentrations and can be increased by reducing the P concentration in future. The isotopic enrichment was improved by employing one-for-one ion sputtering using 45 keV $^{28}$Si$^-$ implantation. A fluence of 2.63x10^18 cm^-2 $^{28}$Si$^-$ ions were implanted at this energy into nat Si, resulting in an isotopically enriched surface layer ~100 nm thick; suitable for providing a sufficient volume of $^{28}$Si for donor qubits implanted into the near-surface region. We observe a depletion of $^{29}$Si to 250 ppm as measured by secondary ion mass spectrometry. The impurity content and the crystallization kinetics via solid phase epitaxy are discussed. The $^{28}$Si layer is confirmed to be a single crystal using transmission electron microscopy. This method of Si isotopic enrichment shows promise for incorporating into the fabrication process flow of Si spin qubit devices.

Spin-orbit coupling fundamentally alters spin qubits, opening pathways to improve the scalability of quantum computers via long distance coupling mediated by electric fields, photons, or phonons. It also allows for new engineered hybrid and topological quantum systems. However, spin qubits with intrinsic spin-orbit coupling are not yet viable for quantum technologies due to their short ($\sim1~\mu$s) coherence times $T_2$, while qubits with long $T_2$ have weak spin-orbit coupling making qubit coupling short-ranged and challenging for scale-up. Here we show that an intrinsic spin-orbit coupled "generalised spin" with total angular momentum $J=\tfrac{3}{2}$, which is defined by holes bound to boron dopant atoms in strained $^{28}\mathrm{Si}$, has $T_2$ rivalling the electron spins of donors and quantum dots in $^{28}\mathrm{Si}$. Using pulsed electron paramagnetic resonance, we obtain $0.9~\mathrm{ms}$ Hahn-echo and $9~\mathrm{ms}$ dynamical decoupling $T_2$ times, where strain plays a key role to reduce spin-lattice relaxation and the longitudinal electric coupling responsible for decoherence induced by electric field noise. Our analysis shows that transverse electric dipole can be exploited for electric manipulation and qubit coupling while maintaining a weak longitudinal coupling, a feature of $J=\tfrac{3}{2}$ atomic systems with a strain engineered quadrupole degree of freedom. These results establish single-atom hole spins in silicon with quantised total angular momentum, not spin, as a highly coherent platform with tuneable intrinsic spin-orbit coupling advantageous to build artificial quantum systems and couple qubits over long distances., Comment: 14 pages, 4 figures + 13 pages, 5 figures of Supplemental material

For solid-state spin qubits, single-gate RF readout can help minimise the number of gates required for scale-up to many qubits since the readout sensor can integrate into the existing gates required to manipulate the qubits (Veldhorst 2017, Pakkiam 2018). However, a key requirement for a scalable quantum computer is that we must be capable of resolving the qubit state within single-shot, that is, a single measurement (DiVincenzo 2000). Here we demonstrate single-gate, single-shot readout of a singlet-triplet spin state in silicon, with an average readout fidelity of $82.9\%$ at a $3.3~\text{kHz}$ measurement bandwidth. We use this technique to measure a triplet $T_-$ to singlet $S_0$ relaxation time of $0.62~\text{ms}$ in precision donor quantum dots in silicon. We also show that the use of RF readout does not impact the maximum readout time at zero detuning limited by the $S_0$ to $T_-$ decay, which remained at approximately $2~\text{ms}$. This establishes single-gate sensing as a viable readout method for spin qubits.

In quantum metrology, semiconductor single-electron pumps are used to generate accurate electric currents with the ultimate goal of implementing the emerging quantum standard of the ampere. Pumps based on electrostatically defined tunable quantum dots (QDs) have thus far shown the most promising performance in combining fast and accurate charge transfer. However, at frequencies exceeding approximately 1 GHz, the accuracy typically decreases. Recently, hybrid pumps based on QDs coupled to trap states have led to increased transfer rates due to tighter electrostatic confinement. Here, we operate a hybrid electron pump in silicon obtained by coupling a QD to multiple parasitic states, and achieve robust current quantization up to a few gigahertz. We show that the fidelity of the electron capture depends on the sequence in which the parasitic states become available for loading, resulting in distinctive frequency dependent features in the pumped current., Comment: 15 pages, 8 figures (including Supporting Information)

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 descriptions of central-cell-corrections, which are empirically fitted to match experimental binding energies, or other quantities associated with the global properties of the wave function. Direct approaches to understanding such effects in donor wave functions are of great interest. Here, we apply a comprehensive atomistic theoretical framework to compute scanning tunnelling microscopy (STM) images of subsurface donor wave functions with two central-cell-correction formalisms previously employed in the literature. The comparison between central-cell models based on real-space image features and the Fourier transform profiles indicate that the central-cell effects are visible in the simulated STM images up to ten monolayers below the silicon surface. Our study motivates a future experimental investigation of the central-cell effects via STM imaging technique with potential of fine tuning theoretical models, which could play a vital role in the design of donor-based quantum systems in scalable quantum computer architectures., Comment: Nanoscale 2017

Exchange coupling is a key ingredient for spin-based quantum technologies since it can be used to entangle spin qubits and create logical spin qubits. However, the influence of the electronic valley degree of freedom in silicon on exchange interactions is presently the subject of important open questions. Here we investigate the influence of valleys on exchange in a coupled donor/quantum dot system, a basic building block of recently proposed schemes for robust quantum information processing. Using a scanning tunneling microscope tip to position the quantum dot with sub-nm precision, we find a near monotonic exchange characteristic where lattice-aperiodic modulations associated with valley degrees of freedom comprise less than 2~\% of exchange. From this we conclude that intravalley tunneling processes that preserve the donor's $\pm x$ and $\pm y$ valley index are filtered out of the interaction with the $\pm z$ valley quantum dot, and that the $\pm x$ and $\pm y$ intervalley processes where the electron valley index changes are weak. Complemented by tight-binding calculations of exchange versus donor depth, the demonstrated electrostatic tunability of donor/QD exchange can be used to compensate the remaining intravalley $\pm z$ oscillations to realise uniform interactions in an array of highly coherent donor spins., Comment: 6 pages, 4 figures, 6 pages Supplemental Material

Two-level quantum systems with strong spin-orbit coupling allow for all-electrical qubit control and long-distance qubit coupling via microwave and phonon cavities, making them of particular interest for scalable quantum information technologies. In silicon, a strong spin-orbit coupling exists within the spin-3/2 system of acceptor atoms and their energy levels and properties are expected to be highly tunable. Here we show the influence of local symmetry tuning on the acceptor spin-dynamics, measured in the single-atom regime. Spin-selective tunneling between two coupled boron atoms in a commercial CMOS transistor is utilised for spin-readout, which allows for the probing of the two-hole spin relaxation mechanisms. A relaxation-hotspot is measured and explained by the mixing of acceptor heavy and light hole states. Furthermore, excited state spectroscopy indicates a magnetic field controlled rotation of the quantization axes of the atoms. These observations demonstrate the tunability of the spin-orbit states and dynamics of this spin-3/2 system., Comment: 7 pages, 4 figures. Supplementary information: 6 pages, 5 figures

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 the geometry of the dopant molecule and its orientation relative to the crystallographic axes of silicon. The electron binding energy of the triatomic linear molecules is larger than that of the diatomic molecule oriented along the same crystallographic axis, but the energy gap between the ground state and the first excited state is not significantly different for internuclear distances from 1.5 to 6.6 nm. Three donor atoms arranged in a triangle geometry have larger binding energies than a triatomic linear chain of dopants with the same internuclear distances. The planar donor molecules are characterized by a strong polarization in favor of the valleys oriented perpendicular to the plane of the molecule. The polarization increases with number of atoms forming the planar molecule.

We propose a system of real-space envelope function equations without fitting parameters for modeling the electronic spectrum and wave functions of a phosphorus donor atom embedded in silicon. The approach relies on the Burt-Foreman envelope function representation and leads to coupled effective-mass Schroedinger equations containing smooth effective potentials. These potentials result from the spatial filtering imposed on the exact potential energy matrix elements in the envelope function representation. The corresponding filter function is determined from the definition of the envelope function. The resulting effective potentials and the system of envelope functions jointly reproduce the valley-orbit coupling effect in the doped silicon. Including the valley-orbit coupling not only of the 1s, but also for 2s atomic orbitals, as well as static dielectric screening is found crucial to accurately reproduce experimental data. The measured binding energies are recovered with a maximum relative error of 1.53 %. The computed wave functions are in a good agreement with experimental measurements of the electron density provided by scanning tunneling microscopy.

Single-electron pumps based on isolated impurity atoms have recently been experimentally demonstrated. In these devices the Coulomb potential of an atom creates a localised electron state with a large charging energy and considerable orbital level spacings, enabling robust charge capturing processes. In these single-atom pumps, the confinement potential is hardly affected by the periodic driving of the system. This is in contrast to the often used gate-defined quantum dot pumps, for which a strongly time-dependent potential leads to significantly different charge pumping processes. Here we describe the behaviour and the performance of an atomic, single parameter, electron pump. This is done by considering the loading, isolating and unloading of one electron at the time, on a phosphorous atom embedded in a silicon double gate transistor. The most important feature of the atom pump is its very isolated ground state, which can be populated through the fast loading of much higher lying excited states and a subsequent fast relaxation proces. This leads to a substantial increase in pumping accuracy, and is opposed to the adverse role of excited states as observed for quantum dot pumps due to non-adiabatic excitations. The pumping performances are investigated as a function of dopant position, revealing a pumping behaviour robust against the expected variability in atomic position., Comment: 8 pages, 5 figures

We report electronic transport measurements through a silicon hybrid double quantum dot consisting of a donor and a quantum dot. Transport spectra show resonant tunneling peaks involving different valley states, which illustrate the valley splitting in a quantum dot on a Si/SiO2 interface. The detailed gate bias dependence of double dot transport allows a first direct observation of the valley splitting in the quantum dot, which is controllable between 160-240 ueV with an electric field dependence 1.2 +- 0.2 meV/(MV/m). A large valley splitting is an essential requirement to implement a physical electron spin qubit in a silicon quantum dot., Comment: 10 pages, 3 figures

High fidelity entanglement of an on-chip array of spin qubits poses many challenges. Spin-orbit coupling (SOC) can ease some of these challenges by enabling long-ranged entanglement via electric dipole-dipole interactions, microwave photons, or phonons. However, SOC exposes conventional spin qubits to decoherence from electrical noise. Here we propose an acceptor-based spin-orbit qubit in silicon offering long-range entanglement at a sweet spot where the qubit is protected from electrical noise. The qubit relies on quadrupolar SOC with the interface and gate potentials. As required for surface codes, $10^5$ electrically mediated single-qubit and $10^4$ dipole-dipole mediated two-qubit gates are possible in the predicted spin lifetime. Moreover, circuit quantum electrodynamics with single spins is feasible, including dispersive readout, cavity-mediated entanglement, and spin-photon entanglement. An industrially relevant silicon-based platform is employed., Comment: 4 pages, 2 figures

The triumph of effective mass theory in describing the energy spectrum of dopants does not guarantee that the model wavefunctions will withstand an experimental test. Such wavefunctions have recently been probed by scanning tunneling spectroscopy, revealing localized patterns of resonantly enhanced tunneling currents. We show that the shape of the conducting splotches resemble a cut through Kohn-Luttinger (KL) hydrogenic envelopes, which modulate the interfering Bloch states of conduction electrons. All the non-monotonic features of the current profile are consistent with the charge density fluctuations observed between successive {001} atomic planes, including a counterintuitive reduction of the symmetry - a heritage of the lowered point group symmetry at these planes. A model-independent analysis of the diffraction figure constrains the value of the electron wavevector to $k_0 = (0.82 \pm 0.03)(2\pi/a_{Si})$. Unlike prior measurements, averaged over a sizeable density of electrons, this estimate is obtained directly from isolated electrons. We further investigate the model-specific anisotropy of the wave function envelope, related to the effective mass anisotropy. This anisotropy appears in the KL variational wave function envelope as the ratio between Bohr radii b=a. We demonstrate that the central cell corrected estimates for this ratio are encouragingly accurate, leading to the conclusion that the KL theory is a valid model not only for energies but for wavefunctions as well., Comment: 12 pages, 8 figures

In quantum simulation, many-body phenomena are probed in controllable quantum systems. Recently, simulation of Bose-Hubbard Hamiltonians using cold atoms revealed previously hidden local correlations. However, fermionic many-body Hubbard phenomena such as unconventional superconductivity and spin liquids are more difficult to simulate using cold atoms. To date the required single-site measurements and cooling remain problematic, while only ensemble measurements have been achieved. Here we simulate a two-site Hubbard Hamiltonian at low effective temperatures with single-site resolution using subsurface dopants in silicon. We measure quasiparticle tunneling maps of spin-resolved states with atomic resolution, finding interference processes from which the entanglement entropy and Hubbard interactions are quantified. Entanglement, determined by spin and orbital degrees of freedom, increases with increasing covalent bond length. We find separation-tunable Hubbard interaction strengths that are suitable for simulating strongly correlated phenomena in larger arrays of dopants, establishing dopants as a platform for quantum simulation of the Hubbard model., Comment: 6 pages, 5 figures. Supplementary: 13 pages, 7 figures. New version with some additional discussion, accepted in Nature Communications

Electron spin qubits in silicon, whether in quantum dots or in donor atoms, have long been considered attractive qubits for the implementation of a quantum computer due to the semiconductor vacuum character of silicon and its compatibility with the microelectronics industry. While donor electron spins in silicon provide extremely long coherence times and access to the nuclear spin via the hyperfine interaction, quantum dots have the complementary advantages of fast electrical operations, tunability and scalability. Here we present an approach to a novel hybrid double quantum dot by coupling a donor to a lithographically patterned artificial atom. Using gate-based rf reflectometry, we probe the charge stability of this double quantum dot system and the variation of quantum capacitance at the interdot charge transition. Using microwave spectroscopy, we find a tunnel coupling of 2.7 GHz and characterise the charge dynamics, which reveals a charge T2* of 200 ps and a relaxation time T1 of 100 ns. Additionally, we demonstrate spin blockade at the inderdot transition, opening up the possibility to operate this coupled system as a singlet-triplet qubit or to transfer a coherent spin state between the quantum dot and the donor electron and nucleus., Comment: 6 pages, 4 figures, supplementary information (3 pages, 4 figures)

The energy spectrum of spin-orbit coupled states of individual sub-surface boron acceptor dopants in silicon have been investigated using scanning tunneling spectroscopy (STS) at cryogenic temperatures. The spatially resolved tunnel spectra show two resonances which we ascribe to the heavy- and light-hole Kramers doublets. This type of broken degeneracy has recently been argued to be advantageous for the lifetime of acceptor-based qubits [Phys. Rev. B 88 064308 (2013)]. The depth dependent energy splitting between the heavy- and light-hole Kramers doublets is consistent with tight binding calculations, and is in excess of 1 meV for all acceptors within the experimentally accessible depth range (< 2 nm from the surface). These results will aid the development of tunable acceptor-based qubits in silicon with long coherence times and the possibility for electrical manipulation.

The ability to control single dopants in solid-state devices has opened the way towards reliable quantum computation schemes. In this perspective it is essential to understand the impact of interfaces and electric fields, inherent to address coherent electronic manipulation, on the dopants atomic scale properties. This requires both fine energetic and spatial resolution of the energy spectrum and wave-function, respectively. Here we present an experiment fulfilling both conditions: we perform transport on single donors in silicon close to a vacuum interface using a scanning tunneling microscope (STM) in the single electron tunneling regime. The spatial degrees of freedom of the STM tip provide a versatility allowing a unique understanding of electrostatics. We obtain the absolute energy scale from the thermal broadening of the resonant peaks, allowing to deduce the charging energies of the donors. Finally we use a rate equations model to derive the current in presence of an excited state, highlighting the benefits of the highly tunable vacuum tunnel rates which should be exploited in further experiments. This work provides a general framework to investigate dopant-based systems at the atomic scale., Comment: 15 pages, 4 figures

Nanoscale single-electron pumps can be used to generate accurate currents, and can potentially serve to realize a new standard of electrical current based on elementary charge. Here, we use a silicon-based quantum dot with tunable tunnel barriers as an accurate source of quantized current. The charge transfer accuracy of our pump can be dramatically enhanced by controlling the electrostatic confinement of the dot using purposely engineered gate electrodes. Improvements in the operational robustness, as well as suppression of non-adiabatic transitions that reduce pumping accuracy, are achieved via small adjustments of the gate voltages. We can produce an output current in excess of 80 pA with experimentally determined relative uncertainty below 50 parts per million., Comment: 12 pages, 7 figures, includes supplementary information, Nano Letters (2014)

Electron and nuclear spins of donor ensembles in isotopically pure silicon experience a vacuum-like environment, giving them extraordinary coherence. However, in contrast to a real vacuum, electrons in silicon occupy quantum superpositions of valleys in momentum space. Addressable single-qubit and two-qubit operations in silicon require that qubits are placed near interfaces, modifying the valley degrees of freedom associated with these quantum superpositions and strongly influencing qubit relaxation and exchange processes. Yet to date, spectroscopic measurements only indirectly probe wavefunctions, preventing direct experimental access to valley population, donor position, and environment. Here we directly probe the probability density of single quantum states of individual subsurface donors, in real space and reciprocal space, using scanning tunneling spectroscopy. We directly observe quantum mechanical valley interference patterns associated with linear superpositions of valleys in the donor ground state. The valley population is found to be within $5 \%$ of a bulk donor when $2.85\pm0.45$ nm from the interface, indicating that valley perturbation-induced enhancement of spin relaxation will be negligible for depths $>3$ nm. The observed valley interference will render two-qubit exchange gates sensitive to atomic-scale variations in positions of subsurface donors. Moreover, these results will also be of interest to emerging schemes proposing to encode information directly in valley polarization., Comment: 5 pages, 4 figures. Supplementary Information: 10 pages, 8 figures

Presented in this paper is a proof-of-concept for a new approach to single electron pumping based on a Single Atom Transistor (SAT). By charge pumping electrons through an isolated dopant atom in silicon, precise currents of up to 160 pA at 1 GHz are generated, even if operating at 4.2 K, with no magnetic field applied, and only when one barrier is addressed by sinusoidal voltage cycles., Comment: 14 pages, 10 figures, few changes in the text and in figure 8, New J. Phys. (2014) at press

Radio-frequency dispersive read-out can provide a useful probe to nano-scale structures such as nano-wire devices, especially when the implementation of charge sensing is not straightforward. Here we demonstrate dispersive `gate-only' read-out of phosphor donors in a silicon nano-scale transistor. The technique enables access to states that are only tunnel-coupled to one contact, which is not easily achievable by other methods. This allows us to locate individual randomly placed donors in the device channel. Furthermore, the setup is naturally compatible with high bandwidth access to the probed donor states and may aid the implementation of a qubit based on coupled donors., Comment: 4 pages, 3 figures, accepted for publication

Understanding the electronic properties of dopants near an interface is a critical challenge for nano-scale devices. We have determined the effect of dielectric mismatch and quantum confinement on the ionization energy of individual acceptors beneath a hydrogen passivated silicon (100) surface. Whilst dielectric mismatch between the vacuum and the silicon at the interface results in an image charge which enhances the binding energy of sub-surface acceptors, quantum confinement is shown to reduce the binding energy. Using scanning tunneling spectroscopy we measure resonant transport through the localized states of individual acceptors. Thermal broadening of the conductance peaks provides a direct measure for the absolute energy scale. Our data unambiguously demonstrates that these two independent effects compete with the result that the ionization energy is less than 5 meV lower than the bulk value for acceptors less than a Bohr radius from the interface.

We investigate the Fano-Kondo interplay in an Aharonov-Bohm ring with an embedded non-interacting quantum dot and a Coulomb interacting quantum dot. Using a slave-boson mean-field approximation we diagonalize the Hamiltonian via scattering matrix theory, and derive the conductance in the form of a Fano expression, which depends on the mean field parameters. We predict that in the Kondo regime the magnetic field leads to a gapped energy level spectrum due to hybridisation of the non-interacting QD state and the Kondo state, and can quantum-mechanically alter the electron's path preference. We demonstrate that an abrupt symmetry change in the Fano resonance, as seen experimentally, could be a consequence of an underlying Kondo channel.

We report the results of an experiment investigating coherence and correlation effects in a system of coupled donors. Two donors are strongly coupled to two leads in a parallel configuration within a nano-wire field effect transistor. By applying a magnetic field we observe interference between two donor-induced Kondo channels, which depends on the Aharonov-Bohm phase picked up by electrons traversing the structure. This results in a non-monotonic conductance as a function of magnetic field and clearly demonstrates that donors can be coupled through a many-body state in a coherent manner. We present a model which shows good qualitative agreement with our data. The presented results add to the general understanding of interference effects in a donor-based correlated system which may allow to create artificial lattices that exhibit exotic many-body excitations.

This paper discusses how classical transport theories such as the thermionic emission, can be used as a powerful tool for the study and the understanding of the most complex mechanisms of transport in Fin Field Effect Transistors (FinFETs). By means of simple current and differential conductance measurements, taken at different temperatures and different gate voltages ($V_G$'s), it is possible to extrapolate the evolution of important parameters such as the spatial region of transport and the height of thermionic barrier at the centre of the channel. Furthermore, if the measurements are used in conjunction with simulated data, it becomes possible to also extract the interface trap density of these objects. These are important results, also because these parameters are extracted directly on state-of-the-art devices and not in specially-designed test structures. The possible characterisation of the different regimes of transport that can arise in these ultra-scaled devices having a doped or an undoped channel are also discussed. Examples of these regimes are, full body inversion and weak body inversion. Specific cases demonstrating the strength of the thermionic tool are discussed in sections \ref{sec:II}, \ref{sec:III} and \ref{sec:IV}. This text has been designed as a comprehensive overview of 4 related publications (see Ref. [2-5]) and has been submitted as a book chapter in Ref. [6])., Comment: This text has been designed as a comprehensive overview of 4 related publications (see Ref. [2-5] in the documents) and has been recently submitted as a book chapter (see Ref. [6] of the document)

Ultra-scaled FinFET transistors bear unique fingerprint-like device-to-device differences attributed to random single impurities. This paper describes how, through correlation of experimental data with multimillion atom tight-binding simulations using the NEMO 3-D code, it is possible to identify the impurity's chemical species and determine their concentration, local electric field and depth below the Si/SiO$_{\mathrm{2}}$ interface. The ability to model the excited states rather than just the ground state is the critical component of the analysis and allows the demonstration of a new approach to atomistic impurity metrology., Comment: 6 pages, 3 figures

We demonstrate the proof of principle for a ternary adder using silicon metal-on-insulator single electron transistors (SET). Gate dependent rectifying behavior of a single electron transistor results in a robust three-valued output as a function of the potential of the SET island. Mapping logical, ternary inputs to the three gates controlling the potential of the SET island allows us to perform complex, inherently ternary operations, on a single transistor.

We present atomistic simulations of the D0 to D- charging energies of a gated donor in silicon as a function of applied fields and donor depths and find good agreement with experimental measure- ments. A self-consistent field large-scale tight-binding method is used to compute the D- binding energies with a domain of over 1.4 million atoms, taking into account the full bandstructure of the host, applied fields, and interfaces. An applied field pulls the loosely bound D- electron towards the interface and reduces the charging energy significantly below the bulk values. This enables formation of bound excited D-states in these gated donors, in contrast to bulk donors. A detailed quantitative comparison of the charging energies with transport spectroscopy measurements with multiple samples of arsenic donors in ultra-scaled FinFETs validates the model results and provides physical insights. We also report measured D-data showing for the first time the presence of bound D-excited states under applied fields.

An important challenge in silicon quantum electronics in the few electron regime is the potentially small energy gap between the ground and excited orbital states in 3D quantum confined nanostructures due to the multiple valley degeneracies of the conduction band present in silicon. Understanding the "valley-orbit" (VO) gap is essential for silicon qubits, as a large VO gap prevents leakage of the qubit states into a higher dimensional Hilbert space. The VO gap varies considerably depending on quantum confinement, and can be engineered by external electric fields. In this work we investigate VO splitting experimentally and theoretically in a range of confinement regimes. We report measurements of the VO splitting in silicon quantum dot and donor devices through excited state transport spectroscopy. These results are underpinned by large-scale atomistic tight-binding calculations involving over 1 million atoms to compute VO splittings as functions of electric fields, donor depths, and surface disorder. The results provide a comprehensive picture of the range of VO splittings that can be achieved through quantum engineering., Comment: 4 pages, 4 figures

Semiconductor nano-devices have been scaled to the level that transport can be dominated by a single dopant atom. In the strong coupling case a Kondo effect is observed when one electron is bound to the atom. Here, we report on the spin as well as orbital Kondo ground state. We experimentally as well than theoretically show how we can tune a symmetry transition from a SU(4) ground state, a many body state that forms a spin as well as orbital singlet by virtual exchange with the leads, to a pure SU(2) orbital ground state, as a function of magnetic field. The small size and the s-like orbital symmetry of the ground state of the dopant, make it a model system in which the magnetic field only couples to the spin degree of freedom and allows for observation of this SU(4) to SU(2) transition., Comment: 12 pages, 10 figures, accepted for publication in Physical Review Letters

We report the observation of Lifetime Enhanced Transport (LET) based on perpendicular valleys in silicon by transport spectroscopy measurements of a two-electron system in a silicon transistor. The LET is manifested as a peculiar current step in the stability diagram due to a forbidden transition between an excited state and any of the lower energy states due perpendicular valley (and spin) configurations, offering an additional current path. By employing a detailed temperature dependence study in combination with a rate equation model, we estimate the lifetime of this particular state to exceed 48 ns. The two-electron spin-valley configurations of all relevant confined quantum states in our device were obtained by a large-scale atomistic tight-binding simulation. The LET acts as a signature of the complicated valley physics in silicon; a feature that becomes increasingly important in silicon quantum devices., Comment: 4 pages, 4 figures. (The current version (v3) is the result of splitting up the previous version (v2), and has been completely rewritten)

We demonstrate single dopant implantation into the channel of a silicon nanoscale metal-oxide-semiconductor field-effect-transistor. This is achieved by monitoring the drain current modulation during ion irradiation. Deterministic doping is crucial for overcoming dopant number variability in present nanoscale devices and for exploiting single atom degrees of freedom. The two main ion stopping processes that induce drain current modulation are examined. We employ 500~keV He ions, in which electronic stopping is dominant, leading to discrete increases in drain current and 14~keV P dopants for which nuclear stopping is dominant leading to discrete decreases in drain current., Comment: 13 pages, 3 figures, 1 table, accepted for Applied Physics Letters

Donor states in Si nanodevices can be strongly modified by nearby insulating barriers and metallic gates. We report here experimental results indicating a strong reduction in the charging energy of isolated As dopants in Si FinFETs relative to the bulk value. By studying the problem of two electrons bound to a shallow donor within the effective mass approach, we find that the measured small charging energy may be due to a combined effect of the insulator screening and the proximity of metallic gates., Comment: 7 pages, 6 figures

Quantum coherence is of crucial importance for the applicability of donor based quantum computing. In this Letter we describe the observation of the interference of conduction paths induced by two donors in a nano-MOSFET resulting in a Fano resonance. This demonstrates the coherent exchange of electrons between two donors. In addition, the phase difference between the two conduction paths can be tuned by means of a magnetic field, in full analogy to the Aharonov-Bohm effect.

The Kondo effect has been observed in a single gate-tunable atom. The measurement device consists of a single As dopant incorporated in a Silicon nanostructure. The atomic orbitals of the dopant are tunable by the gate electric field. When they are tuned such that the ground state of the atomic system becomes a (nearly) degenerate superposition of two of the Silicon valleys, an exotic and hitherto unobserved valley Kondo effect appears. Together with the regular spin Kondo, the tunable valley Kondo effect allows for reversible electrical control over the symmetry of the Kondo ground state from an SU(2)- to an SU(4) -configuration., Comment: 10 pages, 8 figures

Adiabatic shuttling of single impurity bound electrons to gate induced surface states in semiconductors has attracted much attention in recent times, mostly in the context of solid-state quantum computer architecture. A recent transport spectroscopy experiment for the first time was able to probe the Stark shifted spectrum of a single donor in silicon buried close to a gate. Here we present the full theoretical model involving large-scale quantum mechanical simulations that was used to compute the Stark shifted donor states in order to interpret the experimental data. Use of atomistic tight-binding technique on a domain of over a million atoms helped not only to incorporate the full band structure of the host, but also to treat realistic device geometries and donor models, and to use a large enough basis set to capture any number of donor states. The method yields a quantitative description of the symmetry transition that the donor electron undergoes from a 3D Coulomb confined state to a 2D surface state as the electric field is ramped up adiabatically. In the intermediate field regime, the electron resides in a superposition between the states of the atomic donor potential and that of the quantum dot like states at the surface. In addition to determining the effect of field and donor depth on the electronic structure, the model also provides a basis to distinguish between a phosphorus and an arsenic donor based on their Stark signature. The method also captures valley-orbit splitting in both the donor well and the interface well, a quantity critical to silicon qubits. The work concludes with a detailed analysis of the effects of screening on the donor spectrum., Comment: 10 pages, 10 figures, journal

Motivated by recent transport experiments and proposed atomic-scale semiconductor devices, we present measurements that extend the reach of scanned-probe methods to discern the properties of individual dopants tens of nanometers below the surface of a silicon sample. Using a capacitance-based approach, we have both spatially-resolved individual subsurface boron acceptors and detected spectroscopically single holes entering and leaving these minute systems of atoms. A resonance identified as the B+ state is shown to shift in energy from acceptor to acceptor. We examine this behavior with respect to nearest-neighbor distances. By directly measuring the quantum levels and testing the effect of dopant-dopant interactions, this method represents a valuable tool for the development of future atomic-scale semiconductor devices., Comment: 17 pages (main text is 5 pages), 3 figures and 4 supplementary figures

We investigate electronic transport through pentacene thin-films intercalated with potassium. From temperature-dependent conductivity measurements we find that potassium-intercalated pentacene shows metallic behavior in a broad range of potassium concentrations. Surprisingly, the conductivity exhibits a re-entrance into an insulating state when the potassium concentration is increased past one atom per molecule. We analyze our observations theoretically by means of electronic structure calculations, and we conclude that the phenomenon originates from a Mott metal-insulator transition, driven by electron-electron interactions., Comment: 8 pages, 6 figures

We report on spectroscopy of a single dopant atom in silicon by resonant tunneling between source and drain of a gated nanowire etched from silicon on insulator. The electronic states of this dopant isolated in the channel appear as resonances in the low temperature conductance at energies below the conduction band edge. We observe the two possible charge states successively occupied by spin-up and spin-down electrons under magnetic field. The first resonance is consistent with the binding energy of the neutral $D^0$ state of an arsenic donor. The second resonance shows a reduced charging energy due to the electrostatic coupling of the charged $D^-$ state with electrodes. Excited states and Zeeman splitting under magnetic field present large energies potentially useful to build atomic scale devices., Comment: accepted for publication in Phys. Rev. Lett

We investigate by low-temperature transport experiments the sub-threshold behavior of triple-gate silicon field-effect transistors. These three-dimensional nano-scale devices consist of a lithographically defined silicon nanowire surrounded by a gate with an active region as small as a few tens of nanometers, down to 50x60x35 nm^3. Conductance versus gate voltage show Coulomb-blockade oscillations with a large charging energy due to the formation of a small potential well below the gate. According to dependencies on device geometry and thermionic current analysis, we conclude that sub-threshold channels, a few nanometers wide, appear at the nanowire edges, hence providing an experimental evidence for the corner-effect.

We have investigated the evolution of the temperature-dependent conductivity of electron-doped pentacene (PEN) thin films, in which the electron density is controlled by means of potassium (K) intercalation. We find that the conductivity is high and exhibit metallic temperature dependence in a broad range of concentrations up to approximately 1 K/PEN. At this value, charge transfer from potassium to PEN saturates, leaving the lowest unoccupied molecular orbital at half filling. This causes a sharp drop of the conductivity, concomitantly with a re-entrance into an insulating state. Our observations are consistent with the occurrence of a Mott-Hubbard insulating state driven by strong electron-electron interaction in agreement with theoretical predictions.

We have performed a comparative study of the electronic properties of six different electron-doped metal phthalocyanine (MPc) compounds (ZnPc, CuPc, NiPc, CoPc, FePc, and MnPc), in which the electron density is controlled by means of potassium intercalation. In spite of the complexity of these systems, we find that the nature of the underlying molecular orbitals produce observable effects in the doping dependence of the electrical conductivity of the materials. For all the MPc's in which the added electrons are expected to occupy orbitals centered on the ligands (ZnPc, CuPc, and NiPc), the doping dependence of the conductivity has an essentially identical shape. This shape is different from that observed in MPc materials in which electrons are also added to orbitals centered on the metal atom (CoPc, FePc, and MnPc). The observed relation between the macroscopic electronic properties of the MPc compounds and the properties of the molecular orbitals of the constituent molecules, clearly indicates the richness of the alkali-doped metal-phthalocyanines as a model class of compounds for the investigation of the electronic properties of molecular systems.

We present a variable temperature Scanning Tunneling Microscopy and Spectroscopy (STM and STS) study of the Si(553)-Au atomic chain reconstruction. This quasi one-dimensional (1D) system undergoes at least two charge density wave (CDW) transitions at low temperature, which can be attributed to electronic instabilities in the fractionally-filled 1D bands of the high-symmetry phase. Upon cooling, Si(553)-Au first undergoes a single-band Peierls distortion, resulting in period doubling along the imaged chains. This Peierls state is ultimately overcome by a competing tripleperiod CDW, which in turn is accompanied by a x2 periodicity in between the chains. These locked-in periodicities indicate small charge transfer between the nearly half-filled and quarter-filled 1D bands. The presence and the mobility of atomic scale dislocations in the x3 CDW state indicates the possibility of manipulating phase solitons carrying a (spin,charge) of (1/2,+-e/3) or (0,+-2e/3)., Comment: submitted, accepted for publication in Phys. Rev. Lett

We present an in-depth analysis of the atomic and electronic structure of the quasi one-dimensional (1D) surface reconstruction of Ga on Si(112) based on Scanning Tunneling Microscopy and Spectroscopy (STM and STS), Rutherford Backscattering Spectrometry (RBS) and Density Functional Theory (DFT) calculations. A new structural model of the Si(112)6 x 1-Ga surface is inferred. It consists of Ga zig-zag chains that are intersected by quasi-periodic vacancy lines or misfit dislocations. The experimentally observed meandering of the vacancy lines is caused by the co-existence of competing 6 x 1 and 5 x 1 unit cells and by the orientational disorder of symmetry breaking Si-Ga dimers inside the vacancy lines. The Ga atoms are fully coordinated, and the surface is chemically passivated. STS data reveal a semiconducting surface and show excellent agreement with calculated Local Density of States (LDOS) and STS curves. The energy gain obtained by fully passivating the surface calls the idea of step-edge decoration as a viable growth method toward 1D metallic structures into question., Comment: Submitted, 13 pages, accepted in Phys. Rev. B, notational change in Fig.8

We report the observation of ambipolar transport in field-effect transistors fabricated on single crystals of Copper- and Iron-Phthalocyanine, using gold as a high work-function metal for the fabrication of source and drain electrodes. In these devices, the room-temperature mobility of holes reaches 0.3 cm$^2$/Vs in both materials. The highest mobility for electrons is observed for Iron-Phthalocyanines and is approximately one order of magnitude lower. Our measurements indicate that these values are limited by extrinsic contact effects due to the transistor fabrication and suggest that considerably higher values for the electron and hole mobility can be achieved in these materials., Comment: Submitted to APL