arXiv subjects

Prineha Narang

Publications and source records attributed to Prineha Narang.

At least 55 records · Page 3Linked to original sources

arXiv2024

Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their simulation, analysis, and data resources. Quantum computing, on the other hand, is an emerging technology with the potential to accelerate many of the computational tasks needed for materials science. In order to do that, the quantum technology must interact with conventional high-performance computing in several ways: approximate results validation, identification of hard problems, and synergies in quantum-centric supercomputing. In this paper, we provide a perspective on how quantum-centric supercomputing can help address critical computational problems in materials science, the challenges to face in order to solve representative use cases, and new suggested directions.

quant-ph↗

arXiv2024

Design for telecom-wavelength quantum emitters in silicon based on alkali-metal-saturated vacancy complexes

Defect emitters in silicon are promising contenders as building blocks of solid-state quantum repeaters and sensor networks. Here we investigate a family of possible isoelectronic emitter defect complexes from a design standpoint. We show that the identification of key physical effects on quantum defect state localization can guide the search for telecom wavelength emitters. We demonstrate this by performing first-principles calculations on the Q center, predicting its charged sodium variants possessing ideal emission wavelength near the lowest-loss telecom bands and ground state spin for possible spin-photon interface and nanoscale spin sensor applications yet to be explored in experiments.

quant-ph↗

arXiv2024

Simulation of open quantum systems via low-depth convex unitary evolutions

Simulating physical systems on quantum devices is one of the most promising applications of quantum technology. Current quantum approaches to simulating open quantum systems are still practically challenging on NISQ-era devices, because they typically require ancilla qubits and extensive controlled sequences. In this work, we propose a hybrid quantum-classical approach for simulating a class of open system dynamics called random-unitary channels. These channels naturally decompose into a series of convex unitary evolutions, which can then be efficiently sampled and run as independent circuits. The method does not require deep ancilla frameworks and thus can be implemented with lower noise costs. We implement simulations of open quantum systems up to dozens of qubits and with large channel ranks.

quant-ph↗

arXiv2024

Direct visualization of defect-controlled diffusion in van der Waals gaps

Diffusion processes govern fundamental phenomena such as phase transformations, doping, and intercalation in van der Waals (vdW) bonded materials. Here, we quantify the diffusion dynamics of W atoms by visualizing the motion of individual atoms at three different vdW interfaces: BN/vacuum, BN/BN, and BN/WSe2, by recording scanning transmission electron microscopy movies. Supported by density functional theory calculations, we infer that in all cases diffusion is governed by intermittent trapping at electron beam-generated defect sites. This leads to diffusion properties that depend strongly on the number of defects. These results suggest that diffusion and intercalation processes in vdW materials are highly tunable and sensitive to crystal quality. The demonstration of imaging, with high spatial and temporal resolution, of layers and individual atoms inside vdW heterostructures offers possibilities for direct visualization of diffusion and atomic interactions, as well as for experiments exploring atomic structures, their in-situ modification, and electrical property measurements of active devices combined with atomic resolution imaging.

cond-mat.mtrl-sci↗

arXiv2024

Terahertz field-induced nonlinear coupling of two magnon modes in an antiferromagnet

Magnons are quantized collective spin-wave excitations in magnetically ordered materials. Revealing their interactions among these collective modes is crucial for the understanding of fundamental many-body effects in such systems and the development of high-speed information transport and processing devices based on them. Nevertheless, identifying couplings between individual magnon modes remains a long-standing challenge. Here, we demonstrate spectroscopic fingerprints of anharmonic coupling between distinct magnon modes in an antiferromagnet, as evidenced by coherent photon emission at the sum and difference frequencies of the two modes. This discovery is enabled by driving two magnon modes coherently with a pair of tailored terahertz fields and then disentangling a mixture of nonlinear responses with different origins. Our approach provides a route for generating nonlinear magnon-magnon mixing.

cond-mat.mtrl-sci↗

arXiv2024

Simulating Chemistry on Bosonic Quantum Devices

Bosonic quantum devices offer a novel approach to realize quantum computations, where the quantum two-level system (qubit) is replaced with the quantum (an)harmonic oscillator (qumode) as the fundamental building block of the quantum simulator. The simulation of chemical structure and dynamics can then be achieved by representing or mapping the system Hamiltonians in terms of bosonic operators. In this perspective, we review recent progress and future potential of using bosonic quantum devices for addressing a wide range of challenging chemical problems, including the calculation of molecular vibronic spectra, the simulation of gas-phase and solution-phase adiabatic and nonadiabatic chemical dynamics, the efficient solution of molecular graph theory problems, and the calculations of electronic structure.

quant-ph↗

arXiv2024

Topological Solitons in Square-root Graphene Nanoribbons Controlled by Electric Fields

Graphene nanoribbons (GNRs) are unique quasi-one-dimensional (1D) materials that have garnered a lot of research interest in the field of topological insulators. While the topological phases exhibited by GNRs are primarily governed by their chemical structures, the ability to externally control these phases is crucial for their potential utilization in quantum electronics and spintronics. Here we propose a class of GNRs featured by mirror symmetry and four zigzag segments in a unit cell that has unique topological properties induced and controlled by an externally applied electric field. Their band structures manifest two finite gaps which support topological solitons, as described by an effective square-root model. To demonstrate the experimental feasibility, we design and synthesize a representative partially zigzag chevron-type GNR (pzc-GNR) with the desired zigzag segments using a bottom-up approach. First-principles calculations on pzc-GNR reveal band inversions at the two finite gaps by switching the direction of the electric field, which is in accordance with predictions from the square-root Hamiltonian. We show different topological phases can be achieved by controlling the direction of the field and the chemical potential of the system in square-root GNRs. Consequently, upon adding a step-function electric field, solitons states can be generated at the domain wall. We discuss the properties of two types of soliton states, depending on whether the terminating commensurate unit cell is mirror symmetric.

cond-mat.mes-hall↗

arXiv2024

Quantum Algorithms and Applications for Open Quantum Systems

Accurate models for open quantum systems -- quantum states that have non-trivial interactions with their environment -- may aid in the advancement of a diverse array of fields, including quantum computation, informatics, and the prediction of static and dynamic molecular properties. In recent years, quantum algorithms have been leveraged for the computation of open quantum systems as the predicted quantum advantage of quantum devices over classical ones may allow previously inaccessible applications. Accomplishing this goal will require input and expertise from different research perspectives, as well as the training of a diverse quantum workforce, making a compilation of current quantum methods for treating open quantum systems both useful and timely. In this Review, we first provide a succinct summary of the fundamental theory of open quantum systems and then delve into a discussion on recent quantum algorithms. We conclude with a discussion of pertinent applications, demonstrating the applicability of this field to realistic chemical, biological, and material systems.

quant-ph↗

arXiv2024

Nontrivial Quantum Geometry and the Strength of Electron-Phonon Coupling

The coupling of electrons to phonons (electron-phonon coupling) is crucial for the existence of various phases of matter, in particular superconductivity and density waves. Here, we devise a theory that incorporates the quantum geometry of the electron bands into the electron-phonon coupling, demonstrating the crucial contributions of the Fubini-Study metric or its orbital selective version to the dimensionless electron-phonon coupling constant. We apply the theory to two materials, graphene and MgB$_2$ where the geometric contributions account for approximately 50\% and 90\% of the total electron-phonon coupling constant, respectively. The quantum geometric contributions in the two systems are further bounded from below by topological contributions. Our results suggest that the nontrivial electron band geometry/topology might favor superconductivity with relatively high critical temperature.

cond-mat.supr-con↗

arXiv2024

Dynamic magnetic phase transition induced by parametric magnon pumping

Uncovering pathways to optically drive magnetic order-disorder transitions on ultrashort timescales can lead to the realization of novel out-of-equilibrium quantum phenomena. A long-sought pathway is to directly excite a highly non-thermal energy-momentum distribution of magnons, bypassing both charge and lattice degrees of freedom. However, this remains elusive owing to the weak coupling and large momentum mismatch between photons and magnons. Here we demonstrate strong parametric excitation of magnons across the entire Brillouin zone of the antiferromagnetic insulator Sr$_2$Cu$_3$O$_4$Cl$_2$ by periodically modulating the superexchange interaction with the electric field of light. The excitation efficiency is greatly enhanced by tuning to the van Hove singularity in the magnon spectrum, sufficient to transiently collapse the antiferromagnetic state using a pulsed laser field of 10$^9$ V/m. The order parameter recovery timescale increases by over 1000 times as a function of excitation density, reflecting a crossover from high- to low-energy magnon dominated decay dynamics. This electric-field induced parametric magnon pumping mechanism is applicable to a broad range of magnetic insulators and opens up the possibility of dynamically engineering magnon distributions by design.

cond-mat.str-el↗

arXiv2024

Probing the Berezinskii-Kosterlitz-Thouless vortex unbinding transition in two-dimensional superconductors using local noise magnetometry

The melting of quasi-long-range superconductivity in two spatial dimensions occurs through the proliferation and unbinding of vortex-antivortex pairs -- a phenomenon known as the Berezinskii-Kosterlitz-Thouless (BKT) transition. Although signatures of this transition have been observed in bulk measurements, these experiments are often complicated, ambiguous, and unable to resolve the rich physics of the vortex unbinding transition. Here we show that local noise magnetometry is a sensitive, noninvasive probe that can provide direct information about the scale-dependent vortex dynamics. In particular, by resolving the distance and temperature dependence of the magnetic noise, it may be possible to experimentally study the renormalization group flow equations of the vortex gas and track the onset of vortex unbinding in situ. Specifically, we predict i) a nonmonotonic dependence of the noise on temperature and ii) the local noise is almost independent of the sample-probe distance at the BKT transition. We also show that noise magnetometry can distinguish Gaussian superconducting order-parameter fluctuations from topological vortex fluctuations and can detect the emergence of unbound vortices. The weak distance dependence at the BKT transition can also be used to distinguish it from quasiparticle background noise. Our predictions may be within experimental reach for a number of unconventional superconductors.

cond-mat.supr-con↗

arXiv2024

The effect of surface oxidation and crystal thickness on magnetic properties and magnetic domain structures of Cr2Ge2Te6

Van der Waals (vdW) magnetic materials such as Cr2Ge2Te6 (CGT) show promise for novel memory and logic applications. This is due to their broadly tunable magnetic properties and the presence of topological magnetic features such as skyrmionic bubbles. A systematic study of thickness and oxidation effects on magnetic domain structures is important for designing devices and vdW heterostructures for practical applications. Here, we investigate thickness effects on magnetic properties, magnetic domains, and bubbles in oxidation-controlled CGT crystals. We find that CGT exposed to ambient conditions for 5 days forms an oxide layer approximately 5 nm thick. This oxidation leads to a significant increase in the oxidation state of the Cr ions, indicating a change in local magnetic properties. This is supported by real space magnetic texture imaging through Lorentz transmission electron microscopy. By comparing the thickness dependent saturation field of oxidized and pristine crystals, we find that oxidation leads to a non-magnetic surface layer which is thicker than the oxide layer alone. We also find that the stripe domain width and skyrmionic bubble size are strongly affected by the crystal thickness in pristine crystals. These findings underscore the impact of thickness and surface oxidation on the properties of CGT such as saturation field and domain/skyrmionic bubble size and suggest a pathway for manipulating magnetic properties through a controlled oxidation process.

cond-mat.mtrl-sci↗

arXiv2024

Many-Body Eigenstates from Quantum Manifold Optimization

Quantum computing offers several new pathways toward finding many-body eigenstates, with variational approaches being some of the most flexible and near-term oriented. These require particular parameterizations of the state, and for solving multiple eigenstates must incorporate orthogonality. In this work, we use techniques from manifold optimization to arrive at solutions of the many-body eigenstate problem via direct minimization over the Stiefel and Grassmannian manifolds, avoiding parameterizations of the states and allowing for multiple eigenstates to be simultaneously calculated. These Riemannian manifolds naturally encode orthogonality constraints and have efficient quantum representations of the states and tangent vectors. We provide example calculations for quantum many-body molecular systems and discuss different pathways for solving the multiple eigenstate problem.

quant-ph↗

arXiv2023

Engineering Anomalously Large Electron Transport in Topological Semimetals

Anomalous transport of topological semimetals has generated significant interest for applications in optoelectronics, nanoscale devices, and interconnects. Understanding the origin of novel transport is crucial to engineering the desired material properties, yet their orders of magnitude higher transport than single-particle mobilities remain unexplained. This work demonstrates the dramatic mobility enhancements result from phonons primarily returning momentum to electrons due to phonon-electron dominating over phonon-phonon scattering. Proving this idea, proposed by Peierls in 1932, requires tuning electron and phonon dispersions without changing symmetry, topology, or disorder. This is achieved by combining de Haas - van Alphen (dHvA), electron transport, Raman scattering, and first-principles calculations in the topological semimetals MX$_2$ (M=Nb, Ta and X=Ge, Si). Replacing Ge with Si brings the transport mobilities from an order magnitude larger than single particle ones to nearly balanced. This occurs without changing the crystal structure or topology and with small differences in disorder or Fermi surface. Simultaneously, Raman scattering and first-principles calculations establish phonon-electron dominated scattering only in the MGe$_2$ compounds. Thus, this study proves that phonon-drag is crucial to the transport properties of topological semimetals and provides insight to further engineer these materials.

cond-mat.mtrl-sci↗

arXiv2023

Probing Electromagnetic Nonreciprocity with Quantum Geometry of Photonic States

Reciprocal and nonreciprocal effects in dielectric and magnetic materials provide crucial information about the microscopic properties of electrons. However, experimentally distinguishing the two has proven to be challenging, especially when the associated effects are extremely small. To this end, we propose a contact-less detection using a cross-cavity device where a material of interest is placed at its centre. We show that the optical properties of the material, such as Kerr and Faraday rotation, or, birefringence, manifest in the coupling between the cavities' electromagnetic modes and in the shift of their resonant frequencies. By calculating the dynamics of a geometrical photonic state, we formulate a measurement protocol based on the quantum metric and quantum process tomography that isolates the individual components of the material's complex refractive index and minimizes the quantum mechanical Cramér-Rao bound on the variance of the associated parameter estimation. Our approach is expected to be applicable across a broad spectrum of experimental platforms including Fock states in optical cavities, or, coherent states in microwave and THz resonators.

physics.optics↗

arXiv2023

Single molecule superradiance for optical cycling

Herein, we show that single molecules containing multiple optical cycling centers (CaO moieties) can exhibit superradiant phenomena. We demonstrate the accuracy of the Frenkel exciton model at describing these superradiant states via comparisons to high-level electronic structure methods. We then rationally design molecules with superradiant properties optimized for laser cooling. Lastly, we demonstrate how multi-photon superradiant phenomena can occur in these novel molecular systems.

physics.optics↗

arXiv2023

Absence of Weak Localization on Negative Curvature Surfaces

The interplay between disorder and quantum interference leads to a wide variety of physical phenomena including celebrated Anderson localization -- the complete absence of diffusive transport due to quantum interference between different particle trajectories. In two dimensions, any amount of disorder is thought to induce localization of all states at long enough length scales, though this may be prevented if bands are topological or have strong spin-orbit coupling. In this note, we present a simple argument providing another mechanism for disrupting localization: by tuning the underlying curvature of the manifold on which diffusion takes place. We show that negative curvature manifolds contain a natural infrared cut off for the probability of self returning paths. We provide explicit calculations of the Cooperon -- directly related to the weak-localization corrections to the conductivity -- in hyperbolic space. It is shown that constant negative curvature leads to a rapid growth in the number of available trajectories a particle can coherently traverse in a given time, reducing the importance of interference effects and restoring classical diffusive behavior even in the absence of inelastic collisions. We conclude by arguing that this result may be amenable to experimental verification through the use of quantum simulators.

cond-mat.dis-nn↗

arXiv2023

Understanding the polaritonic ground state in cavity quantum electrodynamics

Molecular polaritons arise when molecules interact so strongly with light that they become entangled with each other. This light-matter hybridization alters the chemical and physical properties of the molecular system and allows chemical reactions to be controlled without the use of external fields. We investigate the impact of strong light-matter coupling on the electronic structure using perturbative approaches and demonstrate that Rayleigh-Schrödinger perturbation theory can reproduce the ground state energies in optical cavities to comparable accuracy as ab initio cavity quantum electrodynamics methodologies for currently relevant coupling strengths. The method is effective in both low and high cavity frequency regimes and straightforward to implement via response functions. Furthermore, we establish simple relations between cavity-induced intermolecular forces and van der Waals forces. These findings provide valuable insight into the manipulation of ground-state polaritonic energy landscapes, shedding light on the systems and conditions in which modifications can be achieved.

physics.chem-ph↗