Simulating chemical reaction dynamics on quantum computer.

The electronic energies of molecules have been successfully evaluated on quantum computers. However, more attention is paid to the dynamics simulation of molecules in practical applications. Based on the variational quantum eigensolver (VQE) algorithm, Fedorov et al. proposed a correlated sampling (CS) method and demonstrated the vibrational dynamics of H2 molecules [J. Chem. Phys. 154, 164103 (2021)]. In this study, we have developed a quantum approach by extending the CS method based on the VQE algorithm (labeled eCS-VQE) for simulating chemical reaction dynamics. First, the CS method is extended to the three-dimensional cases for calculation of first-order energy gradients, and then, it is further generalized to calculate the second-order gradients of energies. By calculating atomic forces and vibrational frequencies for H2, LiH, H+ + H2, and Cl- + CH3Cl systems, we have seen that the approach has achieved the CCSD level of accuracy. Thus, we have simulated dynamics processes for two typical chemical reactions, hydrogen exchange and chlorine substitution, and obtained high-precision reaction dynamics trajectories consistent with the classical methods. Our eCS-VQE approach, as measurement expectations and ground-state wave functions can be reused, is less demanding in quantum computing resources and is, therefore, a feasible means for the dynamics simulation of chemical reactions on the current noisy intermediate-scale quantum-era quantum devices.

The cell-centered Finite-Volume self-consistent approach for heterostructures: 1D electron gas at the Si-SiO2interface.

Achieving self-consistent convergence with the conventional effective-mass approach at ultra-low temperatures (below 4.2 K) is a challenging task, which mostly lies in the discontinuities in material properties (e.g. effective-mass, electron affinity, dielectric constant). In this article, we develop a novel self-consistent approach based on cell-centered finite-volume discretization of the Sturm-Liouville form of the effective-mass Schrödinger equation and generalized Poisson's equation (FV-SP). We apply this approach to simulate the one-dimensional electron gas formed at the Si-SiO2interface via a top gate. We find excellent self-consistent convergence from high to extremely low (as low as 50 mK) temperatures. We further examine the solidity of FV-SP method by changing external variables such as the electrochemical potential and the accumulative top gate voltage. Our approach allows for counting electron-electron interactions. Our results demonstrate that FV-SP approach is a powerful tool to solve effective-mass Hamiltonians.

Probing Two Driven Double Quantum Dots Strongly Coupled to a Cavity.

We experimentally and theoretically study a driven hybrid circuit quantum electrodynamics (cQED) system beyond the dispersive coupling regime. Treating the cavity as part of the driven system, we develop a theory applicable to such strongly coupled and to multiqubit systems. The fringes measured for a single driven double quantum dot (DQD)-cavity setting and the enlarged splittings of the hybrid Floquet states in the presence of a second DQD are well reproduced with our model. This opens a path to study Floquet states of multiqubit systems with arbitrarily strong coupling and reveals a new perspective for understanding strongly driven hybrid systems.

Collective Microwave Response for Multiple Gate-Defined Double Quantum Dots.

We fabricate and characterize a hybrid quantum device that consists of five gate-defined double quantum dots (DQDs) and a high-impedance NbTiN transmission resonator. The controllable interactions between DQDs and the resonator are spectroscopically explored by measuring the microwave transmission through the resonator in the detuning parameter space. Utilizing the high tunability of the system parameters and the high cooperativity (Ctotal > 17.6) interaction between the qubit ensemble and the resonator, we tune the charge-photon coupling and observe the collective microwave response changing from linear to nonlinear. Our results present the maximum number of DQDs coupled to a resonator and manifest a potential platform for scaling up qubits and studying collective quantum effects in semiconductor-superconductor hybrid cavity quantum electrodynamics systems.

Undoped Strained Ge Quantum Well with Ultrahigh Mobility of Two Million.

We develop a method to fabricate an undoped Ge quantum well (QW) under a 32 nm relaxed Si0.2Ge0.8 shallow barrier. The bottom barrier contains Si0.2Ge0.8 (650 °C) and Si0.1Ge0.9 (800 °C) such that variation of Ge content forms a sharp interface that can suppress the threading dislocation density (TDD) penetrating into the undoped Ge quantum well. The SiGe barrier introduces enough in-plane parallel strain (ε∥ strain -0.41%) in the Ge quantum well. The heterostructure field-effect transistors with a shallow buried channel obtain an ultrahigh two-dimensional hole gas (2DHG) mobility over 2 × 106 cm2/(V s) and a very low percolation density of (5.689 ± 0.062) × 1010 cm-2. The fractional indication is also observed at high density and high magnetic fields. This strained germanium as a noise mitigation material provides a platform for integration of quantum computation with a long coherence time and fast all-electrical manipulation.

Coupling of Photon Emitters in Monolayer WS2 with a Photonic Waveguide Based on Bound States in the Continuum.

On-chip light sources are an essential component of scalable photonic integrated circuits (PICs), and coupling between light sources and waveguides has attracted a great deal of attention. Photonic waveguides based on bound states in the continuum (BICs) allow optical confinement in a low-refractive-index waveguide on a high-refractive-index substrate and thus can be employed for constructing PICs. In this work, we experimentally demonstrated that the photoluminescence (PL) from a monolayer of tungsten sulfide (WS2) could be coupled into a BIC waveguide on a lithium-niobate-on-insulator (LNOI) substrate. Using finite-difference time-domain simulations, we numerically obtained a coupling efficiency of ∼2.3% for an in-plane-oriented dipole and a near-zero loss at a wavelength of 620 nm. By breaking through the limits of 2D-material integration with conventional photonic architectures, our work offers a new perspective for light-matter coupling in monolithic PICs.

Ultrafast and Electrically Tunable Rabi Frequency in a Germanium Hut Wire Hole Spin Qubit.

Hole spin qubits based on germanium (Ge) have strong tunable spin-orbit interaction (SOI) and ultrafast qubit operation speed. Here we report that the Rabi frequency (fRabi) of a hole spin qubit in a Ge hut wire (HW) double quantum dot (DQD) is electrically tuned through the detuning energy (ϵ) and middle gate voltage (VM). fRabi gradually decreases with increasing ϵ; on the contrary, fRabi is positively correlated with VM. We attribute our results to the change of electric field on SOI and the contribution of the excited state in quantum dots to fRabi. We further demonstrate an ultrafast fRabi exceeding 1.2 GHz, which indicates the strong SOI in our device. The discovery of an ultrafast and electrically tunable fRabi in a hole spin qubit has potential applications in semiconductor quantum computing.

A unified framework of transformations based on the Jordan-Wigner transformation.

Quantum simulation of chemical Hamiltonians enables the efficient calculation of chemical properties. Mapping is one of the essential steps in simulating fermionic systems on quantum computers. In this work, a unified framework of transformations mapping fermionic systems to qubit systems is presented and many existing transformations-such as Jordan-Wigner, Bravyi-Kitaev, and parity transformations-are included in this framework. Based on this framework, the Multilayer Segmented Parity (MSP) transformation is proposed. The MSP transformation is a general mapping with an adjustable parameter vector, which can be viewed as a generalization of the above-mentioned mappings. Furthermore, the MSP transformation can adjust flexibly when dealing with different systems. Applying these mappings to the electronic structure Hamiltonians of various molecules, the MSP transformation is found to perform better on a number of Pauli operators and gates needed in the circuit of Hamiltonian simulation. The MSP transformation will reduce the qubit gate requirement for Hamiltonian simulation on noisy intermediate-scale quantum devices, and it will provide a much wider choice of mappings for researchers.

Sliding nanomechanical resonators.

The motion of a vibrating object is determined by the way it is held. This simple observation has long inspired string instrument makers to create new sounds by devising elegant string clamping mechanisms, whereby the distance between the clamping points is modulated as the string vibrates. At the nanoscale, the simplest way to emulate this principle would be to controllably make nanoresonators slide across their clamping points, which would effectively modulate their vibrating length. Here, we report measurements of flexural vibrations in nanomechanical resonators that reveal such a sliding motion. Surprisingly, the resonant frequency of vibrations draws a loop as a tuning gate voltage is cycled. This behavior indicates that sliding is accompanied by a delayed frequency response of the resonators, making their dynamics richer than that of resonators with fixed clamping points. Our work elucidates the dynamics of nanomechanical resonators with unconventional boundary conditions, and offers opportunities for studying friction at the nanoscale from resonant frequency measurements.

Room-temperature coherent manipulation of single-spin qubits in silicon carbide with a high readout contrast.

Spin defects in silicon carbide (SiC) with mature wafer-scale fabrication and micro/nano-processing technologies have recently drawn considerable attention. Although room-temperature single-spin manipulation of colour centres in SiC has been demonstrated, the typically detected contrast is less than 2[Formula: see text], and the photon count rate is also low. Here, we present the coherent manipulation of single divacancy spins in 4H-SiC with a high readout contrast ([Formula: see text]) and a high photon count rate (150 kilo counts per second) under ambient conditions, which are competitive with the nitrogen-vacancy centres in diamond. Coupling between a single defect spin and a nearby nuclear spin is also observed. We further provide a theoretical explanation for the high readout contrast by analysing the defect levels and decay paths. Since the high readout contrast is of utmost importance in many applications of quantum technologies, this work might open a new territory for SiC-based quantum devices with many advanced properties of the host material.

Near-Field Modulation of Differently Oriented Single Photon Emitters with A Plasmonic Probe.

Single photon emitters (SPEs) are critical components of photon-based quantum technology. Recently, the interaction between surface plasmons and emitters has attracted increasing attention because of its potential to improve the quality of single-photon sources through stronger light-matter interactions. In this work, we use a hybrid plasmonic probe composed of a fiber taper and silver nanowire to controllably modulate the radiation properties of SPEs with differently oriented polarization. For out-of-plane oriented SPEs such as single CdSe quantum dots, the radiation lifetime could be reduced by a factor as large as seven; for in-plane oriented SPEs such as hBN defect SPEs, the average modulation amplitude varied from 0.69 to 1.23, depending on the position of the probe. The experimental results were highly consistent with the simulations and theory. This work provides an efficient approach for optimizing the properties of SPEs for quantum photonic integration.

Transverse Mode-Encoded Quantum Gate on a Silicon Photonic Chip.

As an important degree of freedom (d.o.f.) in photonic integrated circuits, the orthogonal transverse mode provides a promising and flexible way to increase communication capability, for both classical and quantum information processing. To construct large-scale on-chip multimode multi-d.o.f.s quantum systems, a transverse mode-encoded controlled-NOT (CNOT) gate is necessary. Here, with the help of our new transverse mode-dependent directional coupler and attenuator, we demonstrate the first multimode implementation of a 2-qubit quantum gate. The ability of the gate is demonstrated by entangling two separated transverse mode qubits with an average fidelity of 0.89±0.02 and the achievement of 10 standard deviations of violations in the quantum nonlocality verification. In addition, a fidelity of 0.82±0.01 is obtained from quantum process tomography used to completely characterize the CNOT gate. Our work paves the way for universal transverse mode-encoded quantum operations and large-scale multimode multi-d.o.f.s quantum systems.

Ultrafast coherent control of a hole spin qubit in a germanium quantum dot.

Operation speed and coherence time are two core measures for the viability of a qubit. Strong spin-orbit interaction (SOI) and relatively weak hyperfine interaction make holes in germanium (Ge) intriguing candidates for spin qubits with rapid, all-electrical coherent control. Here we report ultrafast single-spin manipulation in a hole-based double quantum dot in a germanium hut wire (GHW). Mediated by the strong SOI, a Rabi frequency exceeding 540 MHz is observed at a magnetic field of 100 mT, setting a record for ultrafast spin qubit control in semiconductor systems. We demonstrate that the strong SOI of heavy holes (HHs) in our GHW, characterized by a very short spin-orbit length of 1.5 nm, enables the rapid gate operations we accomplish. Our results demonstrate the potential of ultrafast coherent control of hole spin qubits to meet the requirement of DiVincenzo's criteria for a scalable quantum information processor.

Graphene-Based Nanoelectromechanical Periodic Array with Tunable Frequency.

Phononic crystals (PnCs) have attracted much attention due to their great potential for dissipation engineering and propagation manipulation of phonons. Notably, the excellent electrical and mechanical properties of graphene make it a promising material for nanoelectromechanical resonators. Transferring a graphene flake to a prepatterned periodic mechanical structure enables the realization of a PnC with on-chip scale. Here, we demonstrate a nanoelectromechanical periodic array by anchoring a graphene membrane to a 9 × 9 array of standing nanopillars. The device exhibits a quasi-continuous frequency spectrum with resonance modes distributed from ∼120 MHz to ∼980 MHz. Moreover, the resonant frequencies of these modes can be electrically tuned by varying the voltage applied to the gate electrode sitting underneath. Simulations suggest that the observed band-like spectrum provides an experimental evidence for PnC formation. Our architecture has large fabrication flexibility, offering a promising platform for investigations on PnCs with electrical accessibility and tunability.

An Operation Guide of Si-MOS Quantum Dots for Spin Qubits.

In the last 20 years, silicon quantum dots have received considerable attention from academic and industrial communities for research on readout, manipulation, storage, near-neighbor and long-range coupling of spin qubits. In this paper, we introduce how to realize a single spin qubit from Si-MOS quantum dots. First, we introduce the structure of a typical Si-MOS quantum dot and the experimental setup. Then, we show the basic properties of the quantum dot, including charge stability diagram, orbital state, valley state, lever arm, electron temperature, tunneling rate and spin lifetime. After that, we introduce the two most commonly used methods for spin-to-charge conversion, i.e., Elzerman readout and Pauli spin blockade readout. Finally, we discuss the details of how to find the resonance frequency of spin qubits and show the result of coherent manipulation, i.e., Rabi oscillation. The above processes constitute an operation guide for helping the followers enter the field of spin qubits in Si-MOS quantum dots.

Anisotropic g-Factor and Spin-Orbit Field in a Germanium Hut Wire Double Quantum Dot.

Holes in nanowires have drawn significant attention in recent years because of the strong spin-orbit interaction, which plays an important role in constructing Majorana zero modes and manipulating spin-orbit qubits. Here, from the strongly anisotropic leakage current in the spin blockade regime for a double dot, we extract the full g-tensor and find that the spin-orbit field is in plane with an azimuthal angle of 59° to the axis of the nanowire. The direction of the spin-orbit field indicates a strong spin-orbit interaction along the nanowire, which may have originated from the interface inversion asymmetry in Ge hut wires. We also demonstrate two different spin relaxation mechanisms for the holes in the Ge hut wire double dot: spin-flip co-tunneling to the leads, and spin-orbit interaction within the double dot. These results help establish feasibility of a Ge-based quantum processor.

Growth of h-BN/graphene heterostructure using proximity catalysis.

In this study, a proximity catalysis route was developed for the fast growth of graphene/h-BN vertical heterostructures on Cu foils, which shows much improved synthesis efficiency (500 times faster than other routes) and good crystalline quality graphene (large single crystalline length up to 10µm). The key advantage of our synthesis route is the introduction of fresh Cu foil (or Cu foam) into the high-temperature zone using a turntable. At high temperatures, Cu vapor acts as a gaseous catalyst, which can reduce the energy barrier of graphene growth and promote the decomposition of carbon sources. Therefore, after the first layer of hexagonal boron nitride is grown on the Cu substrate, another layer of graphene can be grown by introducing a fresh catalyst. Our calculations have revealed the catalytic effect and graphene growth contribution of Cu vapor evaporated by the suspended catalyst. We also investigated the growth sequence of graphene from 1 to 24 carbon atoms on h-BN/Cu and determined the morphology evolution of these carbon clusters. In this regard, multilayer stacked heterogeneous structures can be synthesized, thus increasing their potential applications in high performance electronic devices and energy harvesting/transition directions.

Tunable parametric amplification of a graphene nanomechanical resonator in the nonlinear regime.

Parametric amplification is widely used in nanoelectro-mechanical systems to enhance the transduced mechanical signals. Although parametric amplification has been studied in different mechanical resonator systems, the nonlinear dynamics involved receives less attention. Taking advantage of the excellent electrical and mechanical properties of graphene, we demonstrate electrical tunable parametric amplification using a doubly clamped graphene nanomechanical resonator. By applying external microwave pumping with twice the resonant frequency, we investigate parametric amplification in the nonlinear regime. We experimentally show that the extracted coefficient of the nonlinear Duffing force α and the nonlinear damping coefficient η vary as a function of external pumping power, indicating the influence of higher-order nonlinearity beyond the Duffing (∼x 3) and van der Pol (∼[Formula: see text]) types in our device. Even when the higher-order nonlinearity is involved, parametric amplification still can be achieved in the nonlinear regime. The parametric gain increases and shows a tendency of saturation with increasing external pumping power. Further, the parametric gain can be electrically tuned by the gate voltage with a maximum gain of 10.2 dB achieved at the gate voltage of 19 V. Our results will benefit studies on nonlinear dynamics, especially nonlinear damping in graphene nanomechanical resonators that has been debated in the community over past decade.

A Suspended Silicon Single-Hole Transistor as an Extremely Scaled Gigahertz Nanoelectromechanical Beam Resonator.

Suspended single-hole transistors (SHTs) can also serve as nanoelectromechanical resonators, providing an ideal platform for investigating interactions between mechanical vibrations and charge carriers. Demonstrating such a device in silicon (Si) is of particular interest, due to the strong piezoresistive effect of Si and potential applications in Si-based quantum computation. Here, a suspended Si SHT also acting as a nanoelectromechanical beam resonator is demonstrated. The resonant frequency and zero-point motion of the device are ≈3 GHz and 0.2 pm, respectively, reaching the best level among similar devices demonstrated with Si-containing materials. The mechanical vibration is transduced to electrical readout by the SHT. The signal transduction mechanism is dominated by the piezoresistive effect. A giant apparent effective piezoresistive gauge factor with strong correlation to single-hole tunneling is extracted in this device. The results show the great potential of the device in interfacing charge carriers with mechanical vibrations, as well as investigating potential quantum behavior of the vibration phonon mode.

Giant Anisotropy of Spin Relaxation and Spin-Valley Mixing in a Silicon Quantum Dot.

In silicon quantum dots (QDs), at a certain magnetic field commonly referred to as the "hot spot," the electron spin relaxation rate (T_{1}^{-1}) can be drastically enhanced due to strong spin-valley mixing. Here, we experimentally find that with a valley splitting of 78.2±1.6 µeV, this hot spot in spin relaxation can be suppressed by more than 2 orders of magnitude when the in-plane magnetic field is oriented at an optimal angle, about 9° from the [100] sample plane. This directional anisotropy exhibits a sinusoidal modulation with a 180° periodicity. We explain the magnitude and phase of this modulation using a model that accounts for both spin-valley mixing and intravalley spin-orbit mixing. The generality of this phenomenon is also confirmed by tuning the electric field and the valley splitting up to 268.5±0.7 µeV.