Phonon stability boundary and deep elastic strain engineering of lattice thermal conductivity.

Recent studies have reported the experimental discovery that nanoscale specimens of even a natural material, such as diamond, can be deformed elastically to as much as 10% tensile elastic strain at room temperature without the onset of permanent damage or fracture. Computational work combining ab initio calculations and machine learning (ML) algorithms has further demonstrated that the bandgap of diamond can be altered significantly purely by reversible elastic straining. These findings open up unprecedented possibilities for designing materials and devices with extreme physical properties and performance characteristics for a variety of technological applications. However, a general scientific framework to guide the design of engineering materials through such elastic strain engineering (ESE) has not yet been developed. By combining first-principles calculations with ML, we present here a general approach to map out the entire phonon stability boundary in six-dimensional strain space, which can guide the ESE of a material without phase transitions. We focus on ESE of vibrational properties, including harmonic phonon dispersions, nonlinear phonon scattering, and thermal conductivity. While the framework presented here can be applied to any material, we show as an example demonstration that the room-temperature lattice thermal conductivity of diamond can be increased by more than 100% or reduced by more than 95% purely by ESE, without triggering phonon instabilities. Such a framework opens the door for tailoring of thermal-barrier, thermoelectric, and electro-optical properties of materials and devices through the purposeful design of homogeneous or inhomogeneous strains.

Characterizing Temperature and Strain Variations with Qubit Ensembles for Their Robust Coherence Protection.

Solid-state spin defects, especially nuclear spins with potentially achievable long coherence times, are compelling candidates for quantum memories and sensors. However, their current performances are still limited by dephasing due to variations of their intrinsic quadrupole and hyperfine interactions. We propose an unbalanced echo to overcome this challenge by using a second spin to refocus variations of these interactions while preserving the quantum information stored in the nuclear spin free evolution. The unbalanced echo can be used to probe the temperature and strain distribution in materials. We develop first-principles methods to predict variations of these interactions and reveal their correlation over large temperature and strain ranges. Experiments performed in an ensemble of ∼10^{10} nuclear spins in diamond demonstrate a 20-fold dephasing time increase, limited by other noise sources. We further numerically show that our method can refocus even stronger noise variations than present in our experiments.

Communication-Efficient Quantum Algorithm for Distributed Machine Learning.

The growing demands of remote detection and an increasing amount of training data make distributed machine learning under communication constraints a critical issue. This work provides a communication-efficient quantum algorithm that tackles two traditional machine learning problems, the least-square fitting and softmax regression problems, in the scenario where the dataset is distributed across two parties. Our quantum algorithm finds the model parameters with a communication complexity of O(log_{2}(N)/ε), where N is the number of data points and ε is the bound on parameter errors. Compared to classical and other quantum methods that achieve the same goal, our methods provide a communication advantage in the scaling with data volume. The core of our methods, the quantum bipartite correlator algorithm that estimates the correlation or the Hamming distance of two bit strings distributed across two parties, may be further applied to other information processing tasks.

First-Principles Calculation of the Temperature-Dependent Transition Energies in Spin Defects.

Spin qubits associated with color centers are promising platforms for various quantum technologies. However, to be deployed in robust quantum devices, the variations of their intrinsic properties with the external conditions, in particular temperature and strain, should be known with high precision. Unfortunately, a predictive theory on the temperature dependence of the resonance frequency of electron and nuclear spin defects in solids remains lacking. In this work, we develop a first-principles method for the temperature dependence of the zero-field splitting, hyperfine interaction, and nuclear quadrupole interaction of color centers. As a testbed, we compare our ab initio calculations with experiments for the nitrogen-vacancy (NV-) center in diamond, finding good agreements. We identify the major origin of the temperature dependence as a second-order effect of dynamic phonon vibrations, instead of the thermal-expansion strain. The method can be applied to different color centers and provides a theoretical tool for designing high-precision quantum sensors.

Laser Cooling of Nuclear Magnons.

The initialization of nuclear spin to its ground state is challenging due to its small energy scale compared with thermal energy, even at cryogenic temperature. In this Letter, we propose an optonuclear quadrupolar effect, whereby two-color optical photons can efficiently interact with nuclear spins. Leveraging such an optical interface, we demonstrate that nuclear magnons, the collective excitations of nuclear spin ensemble, can be cooled down optically. Under feasible experimental conditions, laser cooling can suppress the population and entropy of nuclear magnons by more than 2 orders of magnitude, which could facilitate the application of nuclear spins in quantum information science.

Signatures of chaos in the Brillouin zone.

When the classical dynamics of a particle in a finite two-dimensional billiard undergoes a transition to chaos, the quantum dynamics of the particle also shows manifestations of chaos in the form of scarring of wave functions and changes in energy level spacing distributions. If we "tile" an infinite plane with such billiards, we find that the Bloch states on the lattice undergo avoided crossings, energy level spacing statistics change from Poisson-like to Wigner-like, and energy sheets of the Brillouin zone begin to "mix" as the classical dynamics of the billiard changes from regular to chaotic behavior.

Chaos in the band structure of a soft Sinai lattice.

We study the effect of broken spatial and dynamical symmetries on the band structure of two lattices with unit cells that are soft versions of the classic Sinai billiard. We find significant signatures of chaos in the band structure of these lattices, in energy regimes where the underlying classical unit cell undergoes a transition to chaos. Broken dynamical symmetries and the presence of chaos can diminish the feasibility of changing and controlling band structure in a wide variety of two-dimensional lattice-based devices, including two-dimensional solids, optical lattices, and photonic crystals.