Two-dimensional semiconductors pave the way towards dopant-based quantum computing.

Since the proposal in 1998 to build a quantum computer using dopants in silicon as qubits, much progress has been made in the nanofabrication of semiconductors and the control of charge and spins in single dopants. However, an important problem remains unsolved, namely the control over exchange interactions and tunneling between two donors, which presents a peculiar oscillatory behavior as the dopants relative positions vary at the scale of the lattice parameter. Such behavior is due to the valley degeneracy in the conduction band of silicon, and does not occur when the conduction-band edge is at k = 0. We investigate the possibility of circumventing this problem by using two-dimensional (2D) materials as hosts. Dopants in 2D systems are more tightly bound and potentially easier to position and manipulate. Moreover, many of them present the conduction band minimum at k = 0, thus no exchange or tunnel coupling oscillations. Considering the properties of currently available 2D semiconductor materials, we access the feasibility of such a proposal in terms of quantum manipulability of isolated dopants (for single qubit operations) and dopant pairs (for two-qubit operations). Our results indicate that a wide variety of 2D materials may perform at least as well as, and possibly better, than the currently studied bulk host materials for donor qubits.

Photonic Counterparts of Cooper Pairs.

The microscopic theory of superconductivity raised the disruptive idea that electrons couple through the elusive exchange of virtual phonons, overcoming the strong Coulomb repulsion to form Cooper pairs. Light is also known to interact with atomic vibrations, as, for example, in the Raman effect. We show that photon pairs exchange virtual vibrations in transparent media, leading to an effective photon-photon interaction identical to that for electrons in the BCS theory of superconductivity, in spite of the fact that photons are bosons. In this scenario, photons may exchange energy without matching a quantum of vibration of the medium. As a result, pair correlations for photons scattered away from the Raman resonances are expected to be enhanced. An experimental demonstration of this effect is provided here by time-correlated Raman measurements in different media. The experimental data confirm our theoretical interpretation of a photonic Cooper pairing, without the need for any fitting parameters.

Theory of one and two donors in silicon.

We provide here a roadmap for modeling silicon nano-devices with one or two group V donors (D). We discuss systems containing one or two electrons, that is, D(0), D(-), D(+)(2) and D(0)(2) centers. The impact of different levels of approximation is discussed. The most accurate instances--for which we provide quantitative results--are within multivalley effective mass including the central cell correction and a configuration interaction account of the electron-electron correlations. We also derive insightful, yet less accurate, analytical approximations and discuss their validity and limitations--in particular, for a donor pair, we discuss the single orbital LCAO method, the Hückel approximation and the Hubbard model. Finally, we connect these results with recent experiments on devices with few dopants.

An exchange-coupled donor molecule in silicon.

We present a combined experimental-theoretical demonstration of the energy spectrum and exchange coupling of an isolated donor pair in a silicon nanotransistor. The molecular hybridization of the atomic orbitals leads to an enhancement of the one- and two-electron binding energies and charging energy with respect to the single donor case, a desirable feature for quantum electronic devices. Our hydrogen molecule-like model based on a multivalley central-cell corrected effective mass theory incorporating a full configuration interaction treatment of the 2-electron spectrum matches the measured data for an arsenic diatomic molecule with interatomic distance R = 2.3 ± 0.5 nm.

Driven flow with exclusion and transport in graphenelike structures.

We study driven flow with exclusion in graphenelike structures. The totally asymmetric simple exclusion process (TASEP), a well-known model in its strictly one-dimensional (chain) version, is generalized to cylinder (nanotube) and ribbon (nanoribbon) geometries. A mean-field theoretical description is given for very narrow ribbons ("necklaces") and nanotubes. For specific configurations of bond transmissivity rates, and for a variety of boundary conditions, theory predicts equivalent steady-state behavior between (sublattices on) these structures and chains. This is verified by numerical simulations, to excellent accuracy, by evaluating steady-state currents. We also numerically treat ribbons of general width. We examine the adequacy of this model to the description of electronic transport in carbon nanotubes and nanoribbons or specifically designed quantum-dot arrays.

Genetic design of enhanced valley splitting towards a spin qubit in silicon.

The long spin coherence time and microelectronics compatibility of Si makes it an attractive material for realizing solid-state qubits. Unfortunately, the orbital (valley) degeneracy of the conduction band of bulk Si makes it difficult to isolate individual two-level spin-1/2 states, limiting their development. This degeneracy is lifted within Si quantum wells clad between Ge-Si alloy barrier layers, but the magnitude of the valley splittings achieved so far is small--of the order of 1 meV or less--degrading the fidelity of information stored within such a qubit. Here we combine an atomistic pseudopotential theory with a genetic search algorithm to optimize the structure of layered-Ge/Si-clad Si quantum wells to improve this splitting. We identify an optimal sequence of multiple Ge/Si barrier layers that more effectively isolates the electron ground state of a Si quantum well and increases the valley splitting by an order of magnitude, to ~9 meV.

Valley-based noise-resistant quantum computation using Si quantum dots.

We devise a platform for noise-resistant quantum computing using the valley degree of freedom of Si quantum dots. The qubit is encoded in two polarized (1,1) spin-triplet states with different valley compositions in a double quantum dot, with a Zeeman field enabling unambiguous initialization. A top gate gives a difference in the valley splitting between the dots, allowing controllable interdot tunneling between opposite valley eigenstates, which enables one-qubit rotations. Two-qubit operations rely on a stripline resonator, and readout on charge sensing. Sensitivity to charge and spin fluctuations is determined by intervalley processes and is greatly reduced as compared to conventional spin and charge qubits. We describe a valley echo for further noise suppression.

Quantum control of donor electrons at the Si-SiO2 interface.

Prospects for the quantum control of electrons in the silicon quantum computer architecture are considered theoretically. In particular, we investigate the feasibility of shuttling donor-bound electrons between the impurity in the bulk and the Si-SiO2 interface by tuning an external electric field. We calculate the shuttling time to range from subpicoseconds to nanoseconds depending on the distance (approximately 10-50 nm) of the donor from the interface. Our results establish that quantum control in such nanostructure architectures could, in principle, be achieved.

Disentangling the exchange coupling of entangled donors in the Si quantum computer architecture.

We develop a theory for micro-Raman scattering by single and coupled two-donor states in silicon. We find the Raman spectra to have significant dependence on the donor exchange splitting and the relative spatial positions of the two-donor sites. In particular, we establish a strong correlation between the temperature dependence of the Raman peak intensity and the interdonor exchange coupling. Micro-Raman scattering can therefore potentially become a powerful tool to measure interqubit coupling in the development of a Si quantum computer architecture.

Exchange in silicon-based quantum computer architecture.

The silicon-based quantum computer proposal has been one of the actively pursued ideas during the past three years. Here we calculate the donor electron exchange in silicon and germanium, and demonstrate an atomic-scale challenge for quantum computing in Si (and Ge), as the six (four) conduction-band minima in Si (Ge) lead to intervalley electronic interference, generating strong oscillations in the exchange splitting of two-donor two-electron states. Donor positioning with atomic-scale precision within the unit cell thus becomes a decisive factor in determining the strength of the exchange coupling-a fundamental ingredient for two-qubit operations in a silicon-based quantum computer.