Atoms In Lattice Research Articles

Blue Luminescence from N-doped Graphene

Abstract Blue luminescence (BL) has been observed in various astrophysical environments, such as the inner region of the Red Rectangle Nebula. It has been previously linked to small polycyclic aromatic hydrocarbons. In this study, we explore the potential of N- and O-doped graphene material as carriers of BL. Using vacuum ultraviolet irradiation, pristine single-layer graphene films were exposed to solid N2 and O2 at low temperatures, resulting in the formation of N- or O-doped graphene. The photoluminescence (PL) spectrum of the synthesized N-doped graphene exhibits an asymmetrical peak at 378 nm, which is nearly identical to the BL observed in the Red Rectangle. In contrast, the synthesized O-doped graphene shows a symmetrical PL band at 414 nm. Further Raman and X-ray photoelectron spectroscopy analyses reveal that nitrogen atoms substitute carbon atoms in the graphene lattice, introducing structural defects and sp2 regions responsible for the observed luminescence. The simplicity of the bonding structures in the N-doped graphene, dominated by pyrrolic-N and pyridinic-N groups, further supports its potential as a model system for studying BL.

Floquet dynamics of ultracold atoms in optical lattices with a parametrically modulated trapping potential

Abstract Experiments with ultracold atoms in optical lattices usually involve a
weak parabolic trapping potential which merely serves to confine the atoms, but
otherwise remains negligible. In contrast, we suggest a different class of experiments
in which the presence of a stronger trap is an essential part of the set-up. Because
the trap-modified on-site energies exhibit a slowly varying level spacing, similar to
that of an anharmonic oscillator, an additional time-periodic trap modulation with
judiciously chosen parameters creates nonlinear resonances which enable efficient
Floquet engineering. We employ a Mathieu approximation for constructing the nearresonant
Floquet states in an accurate manner and demonstrate the emergence of
effective ground states from the resonant trap eigenstates. Moreover, we show that the
population of the Floquet states is strongly affected by the phase of a sudden turn-on
of the trap modulation, which leads to significantly modified and rich dynamics. As
a guideline for further studies, we argue that the deliberate population of only the
resonance-induced effective ground states will allow one to realize Floquet condensates
which follow classical periodic orbits, thus providing challenging future perspectives
for the investigation of the quantum-classical correspondence.

Utilization of Bottom Ash from Biomass Combustion in a Thermal Power Plant to Remove Cadmium from the Aqueous Matrix.

This study provides a cost-effective method for using bottom ash from biomass combustion, which would otherwise constitute waste, to remove cadmium from acidic industrial wastewater. The X-ray powder diffraction method was used to identify the crystal forms, i.e., the arrangement of atoms in the crystal lattice, and to determine the composition of bottom ash, and the X-ray fluorescence method was used to obtain information on the elemental composition of bottom ash. The Fourier Transform Infrared method was used to analyse and identify the different functional groups occurring in bottom ash. Scanning Electron Microscopy with energy-dispersive X-ray was used to obtain detailed information on the bottom ash surface. The effect of various factors on Cd removal was studied, and optimal experimental conditions were found. The kinetic and thermodynamic equations showed that the removal of Cd2+ using bottom ash from biomass combustion was a single-layer chemical adsorption meeting the requirements of pseudo-second-order kinetics. The limiting parameter for the effective adsorption of Cd2+ using bottom ash from biomass combustion is its alkaline nature. It can only be used for solutions with pH < 2, which, on the other hand, is its advantage in practical application, namely, in the final treatment of acidic industrial wastewater.

Understanding the superconductivity and charge density wave interaction through quasi-static lattice fluctuations

In unconventional superconductors, coupled charge and lattice degrees of freedom can manifest in ordered phases of matter that are intertwined. In the cuprate family, fluctuating short-range charge correlations can coalesce into a longer-range charge density wave (CDW) order which is thought to intertwine with superconductivity, yet the nature of the interaction is still poorly understood. Here, by measuring subtle lattice fluctuations in underdoped YBa2Cu3O6+y on quasi-static timescales (thousands of seconds) through X-ray photon correlation spectroscopy, we report sensitivity to both superconductivity and CDW. The atomic lattice shows remarkably faster relaxational dynamics upon approaching the superconducting transition at Tc ≈ 65 K. By tracking the momentum dependence, we show that the intermediate scattering function almost monotonically scales with the relaxation distance of atoms away from their average positions above Tc and in the presence of the CDW state, while this peculiar trend is reversed for other temperatures. These observations are consistent with an incipient CDW stabilized by local strain. This work provides insights into the crucial role of relaxational atomic fluctuations for understanding the electronic physics cuprates, which are inherently disordered due to carrier doping.

Graphene: Study in Electronic Structure, Superconductivity and Potential in Quantum Information Sciences

Graphene, a two-dimensional lattice of carbon atoms, exhibits remarkable electronic properties due to its Dirac-like electronic excitations. This paper reviews the elementary electronic properties of graphene, including the tight-binding model for single-layer graphene and the band structure formation. The tight-binding Hamiltonian provides a fundamental understanding of graphene’s linear energy dispersion near the Dirac points, leading to unique phenomena such as massless Dirac fermions and chiral tunneling. We explore the potential of superconductivity in graphene using BCS theory. We find that BCS theory cannot explain superconductivity in graphene and its forms. This is in contradiction with the discovery of unconventional superconductivity in twisted bilayer graphene (TBG). The study further explores the potential application of bilayer graphene quantum in quantum information sciences, highlighting the development of states with relaxation times exceeding 500 ms. These valley states, arising from the hexagonal lattice structure, can be used to encode information as robust valley qubits for fault-tolerant quantum computing

Realization of one-dimensional anyons with arbitrary statistical phase.

Low-dimensional quantum systems can host anyons, particles with exchange statistics that are neither bosonic nor fermionic. However, the physics of anyons in one dimension remains largely unexplored. In this work, we realize Abelian anyons in one dimension with arbitrary exchange statistics using ultracold atoms in an optical lattice, where we engineer the statistical phase through a density-dependent Peierls phase. We explore the dynamical behavior of two anyons undergoing quantum walks and observe the anyonic Hanbury Brown-Twiss effect as well as the formation of bound states without on-site interactions. Once interactions are introduced, we observe spatially asymmetric transport in contrast to the symmetric dynamics of bosons and fermions. Our work forms the foundation for exploring the many-body behavior of one-dimensional anyons.

Phonon dispersion of nanoscale honeycomb phononic crystal: gigahertz and terahertz spectroscopy comparison

Phonons—quantized vibrational modes in crystalline structures—govern phenomena ranging from thermal and mechanical transport to quantum mechanics. In recent years, a new class of artificial materials called phononic crystals has emerged, aiming to control phononic properties. These materials are created by introducing a superlattice structure on top of an already-existing atomic lattice. Typically, phononic crystals are described using a continuous model, in which effective elastic constants approximate potentials between atoms. This approximation, however, assumes the wavelengths of vibrations to be significantly greater than the interatomic distance. In this work, we experimentally investigate the behavior of a honeycomb silicon phononic crystal in the gigahertz range, where the continuum approximation holds, and in the terahertz range, where the phonon wavelengths are comparable to interatomic distances. Using Brillouin light scattering, we investigate the phonon dispersion of the phononic crystal in the gigahertz range, finding a close match with simulations based on the continuous model. Conversely, Raman spectroscopy reveals no difference between the phononic crystal, an unpatterned membrane, and a bulk silicon structure in the terahertz range, showing that the continuous model no longer holds at these higher frequencies.

Atom-Atom entanglement generation via collective states of atomic rings

Subwavelength atomic lattices have been established as a promising platform for quantum applications, utilizing collective superradiant and subradiant behavior to enhance atom-light interactions. While previous work has demonstrated high-fidelity atom-photon entanglement in these systems, the generation of atom–atom entanglement, a crucial ingredient for full scalability, remains a conceptual challenge. Here, we propose methods for high-fidelity entanglement generation between atomic qubits by identifying specific atoms within a ring array as qubits. The entanglement generation is achieved by collective atomic excitation involving both subradiant and superradiant states and leveraging the novel symmetry properties of the ring array. Specifically, we utilize symmetry breaking within the ring by preparing atomic qubits in a superpositions of detunings for our entanglement protocols. A fidelity analysis of the protocols provides practical experimental parameters for state-of-the-art setups. Published by the American Physical Society 2024

Reinforcement learning for rotation sensing with ultracold atoms in an optical lattice

In this paper, we investigate a design approach of reinforcement learning to engineer a gyroscope in an optical lattice for the inertial sensing of rotations. Our methodology is not based on traditional atom interferometry, that is, splitting, reflecting, and recombining wavefunction components. Instead, the learning agent is assigned the task of generating lattice shaking sequences that optimize the sensitivity of the gyroscope to rotational signals in an end-to-end design philosophy. What results is an interference device that is completely distinct from the familiar Mach-Zehnder-type interferometer. For the same total interrogation time, the end-to-end design leads to a twentyfold improvement in sensitivity over traditional Bragg interferometry. Published by the American Physical Society 2024

Observation of Yu-Shiba-Rusinov-like states at the edge of CrBr3/NbSe2 heterostructure

The hybrid ferromagnet-superconductor heterostructures have attracted extensive attention as they potentially host topological superconductivity. Relevant experimental signatures have recently been reported in CrBr3/NbSe2 ferromagnet-superconductor heterostructure, but controversies remain. Here, we reinvestigate CrBr3/NbSe2 by an ultralow temperature scanning tunneling microscope with higher spatial and energy resolutions. We find that the single-layer CrBr3 film is insulating and acts likely as a vacuum barrier, the measured superconducting gap and vortex state on it are nearly the same as those of NbSe2 substrate. Meanwhile, in-gap features are observed at the edges of CrBr3 island, which display either a zero-energy conductance peak or a pair of particle-hole symmetric bound states. They are discretely distributed at the edges of CrBr3 film, and their appearance is found closely related to the atomic lattice reconstruction near the edges. By increasing tunneling transmissivity, the zero-energy conductance peak quickly splits, while the pair of nonzero in-gap bound states first approach each other, merge, and then split again. These behaviors are unexpected for Majorana edge modes, but in consistent with the conventional Yu-Shiba-Rusinov states. Our results provide critical information for further understanding the interfacial coupling in CrBr3/NbSe2 heterostructure.

Smallest [5,6]Fullerene as Building Blocks for 2D Networks with Superior Stability and Enhanced Photocatalytic Performance.

The assembly of molecules to form covalent networks can create varied lattice structures with physical and chemical properties distinct from those of conventional atomic lattices. Using the smallest stable [5,6]fullerene units as building blocks, various 2D C24 networks can be formed with superior stability and strength compared to the recently synthesized monolayer polymeric C60. Monolayer C24 harnesses the properties of both carbon crystals and fullerene molecules, such as stable chemical bonds, suitable band gaps, and large surface area, facilitating photocatalytic water splitting. The electronic band gaps of C24 are comparable to those of TiO2, providing appropriate band edges with sufficient external potential for overall water splitting over the acidic and neutral pH range. Upon photoexcitation, strong solar absorption enabled by strongly bound bright excitons can generate carriers effectively, while the type-II band alignment between C24 and other 2D monolayers can separate electrons and holes in individual layers simultaneously. Additionally, the number of surface-active sites of C24 monolayers are three times more than that of their C60 counterparts in a much wider pH range, providing spontaneous reaction pathways for the hydrogen evolution reaction. Our work provides insights into materials design using tunable building blocks of fullerene units with tailored functions for energy generation, conversion, and storage.

Magneto‐Optical Control of Ordering Kinetics and Vacancy Behavior in Fe–Al Thin Films Quenched by Laser

One of the issues arising in materials science is the behavior of nonequilibrium point defects in the atomic lattice, which defines the rates of chemical reactions and relaxation processes as well as affects the physical properties of solids. It is previously theoretically predicted that melting and rapid solidification of metals and alloys provide a vacancy concentration in the quenched material, which can be comparable to that quantity at the point of melting. Here, the vacancy behavior is studied experimentally in thin films of the near equiatomic Fe–Al alloy subjected to nanosecond laser annealing with intensities up to film ablation. The effects of laser irradiation are studied by monitoring magneto‐optically the ordering kinetics in the alloy at the very ablation edge, within a narrow (micron‐scale) ring‐shaped region around the ablation zone. Quantitatively, the vacancy supersaturation in the quenched alloy has been estimated by fitting a simulated temporal evolution of the long‐range chemical order to the obtained experimental data. Laser quenching (LQ) of alloys and single‐element materials will be a tool for obtaining novel phase states within a small volume of the crystal.

Theoretical Study on Pt1/CeO2 Single Atom Catalysts for CO Oxidation

Understanding the influence of structural configurations on catalytic performance is crucial for optimizing atom‐efficient single‐atom catalysts (SACs). In this study, we conducted a density functional theory (DFT) investigation of single Pt atoms positioned at step‐edges and within a solid solution on the CeO2(111) surface. We compared these configurations in terms of thermodynamic stability, electronic properties, and further potential energy surfaces for CO oxidation. Stability studies revealed that the solid solution catalyst exhibits greater stability compared to the step‐edge catalyst. Additionally, the Pt in the solid solution catalyst can effectively activate lattice oxygen atoms, making the catalyst more conducive to the formation of oxygen vacancies. The CO oxidation process was analyzed using the Mars‐van Krevelen mechanism, revealing that the solid solution catalyst possesses a more moderate CO adsorption energy. This, coupled with its lower oxygen vacancy formation energy, leads to reduced energy barriers throughout the CO oxidation cycle. Our findings highlight the strong dependence of catalytic activity on the specific configuration of Pt atoms within the CeO2 matrix, with the solid solution model demonstrating superior catalytic efficiency compared to the step‐edge‐supported Pt catalysts.

Oxygen Vacancy-Electron Polarons Featured InSnRuO2 Oxides: Orderly and Concerted In-Ov-Ru-O-Sn Substructures for Acidic Water Oxidation.

Polymetallic oxides with extraordinary electrons/geometry structure ensembles, trimmed electron bands, and way-out coordination environments, built by an isomorphic substitution strategy, may create unique contributing to concertedly catalyze water oxidation, which is of great significance for proton exchange membrane water electrolysis (PEMWE). Herein, well-defined rutile InSnRuO2 oxides with density-controllable oxygen vacancy (Ov)-free electron polarons are firstly fabricated by in situ isomorphic substitution, using trivalent In species as Ov generators and the adjacent metal ions as electron donors to form orderly and concerted In-Ov-Ru-O-Sn substructures in the tetravalent oxides. For acidic water oxidation, the obtained InSnRuO2 displays an ultralow overpotential of 183 mV (versus RHE) and a mass activity (MA) of 103.02 A mgRu -1, respectively. For a long-term stability test of PEMWE, it can run at a low and unchangeable cell potential (1.56 V) for 200 h at 50 mA cm-2, far exceeding current IrO2||Pt/C assembly in 0.5 m H2SO4. Accelerated degradation testing results of PEMWE with pure water as the electrolyte show no significant increase in voltage even when the voltage is gradually increased from 1 to 5 A cm-2. The remarkably improved performance is associated with the concerted In-Ov-Ru-O-Sn substructures stabilized by the dense Ov-electron polarons, which synergistically activates band structure of oxygen species and adjacent Ru sites and then boosting the oxygen evolution kinetics. More importantly, the self-trapped Ov-electron polaron induces a decrease in the entropy and enthalpy, and efficiently hinder Ru atoms leaching by increasing the lattice atom diffusion energy barrier, achieves long-term stability of the oxide. This work may open a door to design next-generation Ru-based catalysts with polarons to create orderly and asymmetric substructures as active sites for efficient electrocatalysis in PEMWE application.

Divergence of thermalization rates driven by the competition between finite temperature and quantum coherence.

The thermalization of an isolated quantum system is described by quantum mechanics and thermodynamics, while these two subjects are still not fully consistent with each other. This leaves a less-explored region where both quantum and thermal effects cannot be neglected, and the ultracold-atom platform provides a suitable and versatile testbed to experimentally investigate these complex phenomena. Here we perform experiments based on ultracold atoms in optical lattices and observe a divergence of thermalization rates of quantum matters when the temperature approaches zero. By ramping an external parameter in the Hamiltonian, we observe the time delay between the internal relaxation and the external ramping. This provides us with a direct comparison of the thermalization rates of different quantum phases. We find that the quantum coherence and bosonic stimulation of superfluid induces the divergence while the finite temperature and the many-body interactions are suppressing the divergence. The quantum coherence and the thermal effects are competing with each other in this isolated thermal quantum system, which leads to the transition of thermalization rate from divergence to convergence.

Na-doped cobalt spinel electrocatalysts prepared by programmed electrostatic spraying for improving OER activity and durability in acidic media

The daunting challenge to establish a trade-off among the activity, durability, and cost of electrocatalysts for oxygen evolution reaction (OER) with sluggish reaction kinetics impedes the practical green energy conversion. Hereby, a non-noble metal-based electrocatalyst (i.e., Na-doped Co3O4) was in-situ prepared by programmed electrostatic spraying as an advanced alternative to the costly and scarce state-of-the-art IrO2 and RuO2-based electrocatalysts. The utilization of this sprayer facilitates intimate contact with the substrate electrode and provides short ion diffusion paths, facilitating efficient electron transport. Additionally, the doping of Na ions into the Co3O4 structure results in structural distortion and charge redistribution, leading to the generation of oxygen vacancies (OVs). These OVs enhance the activity of lattice oxygen atoms, thus enabling rapid and durable oxygen evolution in an acidic media (0.5 M H2SO4). The optimal Na-Co3O4 (AA) exhibits a notably low overpotential of 360 mV@10 mA·cm−2 and at least 200 h stability. In addition, density functional theory (DFT) calculations confirm that the incorporation of Na ions significantly elevates electrical conductivity by decreasing the energy band gap and reduces the free energy barrier for the conversion of *O to *OOH, thereby improving the intrinsic OER activity. Finally, by implanting the catalyst in a single-cell proton exchange membrane water electrolyzer (PEMWE), the current density of 100 mA·cm−2 is achieved at a voltage of 1.62 V. This innovative non-noble metal catalyst holds great potential for scalable PEMWE anodes.

Promoting Surface Reconstruction in Spinel Oxides via Tetrahedral-Octahedral Phase Boundary Construction for Efficient Oxygen Evolution.

Understanding the origin of surface reconstruction is crucial for developing highly efficient lattice oxygen oxidation mechanism (LOM) based spinel oxides. Traditionally, the reconstruction has been achieved through electrochemical procedures, such as cyclic voltammetry (CV), linear sweep voltammetry (LSV). In this work, we found that the surface reconstruction in LOM-based CoFe0.25Al1.75O4 catalyst was an irreversible oxygen redox chemical reaction. And a lower oxygen vacancy formation energy (EO-V) could benefit the combination of the activated lattice oxygen atoms with adsorbed water molecular. Motivated by this finding, a strategy of phase boundary construction from Co tetrahedral to octahedral was employed to decrease EO-V in CoFe0.25Al1.75O4. The results showed that as the Co octahedral occupancy ratio rose to 64 %, a 3.5 nm-thick reconstructed layer formed on the catalyst surface with a 158 mV decrease in overpotential. Further experiments indicated that the coexistence of tetrahedral-octahedral (O-T) phase would result in lattice mismatch, promoting non-bonding oxygen states and lowering EO-V. Then more active lattice oxygen combined with H2O molecules to generate hydroxide ions (OH-), followed by soluble cation leaching, which enhanced the reconstruction process. This work provided new insights into the relationship between the intrinsic structure of pre-catalysts and surface reconstruction in LOM-based spinel electrocatalysts.

Advancing Graphene Imaging for Clear Identification of Lattice Defects: The Application of Revolve Sphere Levelling to Scanning Tunnelling Microscopy Images.

Application of revolve sphere levelling (RSL) as a practical and effective image processing tool for enhancing scanning tunnelling microscopy (STM) images of graphene atomic lattices is presented. Low-cost, ambient, and non-invasive STM methods overcome limitations of traditional imaging methods like scanning transmission electron microscopy (STEM) and transmission electron microscopy (TEM) that can introduce or alter defects in graphene. Utilizing high-quality graphene synthesized via Paragraf's patented Metal-Organic Chemical Vapor Deposition (MOCVD) method, RSL, which is easily implemented via the Gwyddion software package, effectively highlights the hexagonal lattice structure and specific defect structures. This provides clarity of the atomic structure that traditional methods struggle to achieve. This research emphasizes the utility of RSL in materials science for defect identification in graphene, and points to future research in optimizing RSL for a broader range of defects and applications in other 2D materials.

Robust finite-temperature many-body scarring on a quantum computer

Mechanisms for suppressing thermalization in disorder-free many-body systems, such as Hilbert space fragmentation and quantum many-body scars, have recently attracted much interest in foundations of quantum statistical physics and potential quantum information processing applications. However, their sensitivity to realistic effects such as finite temperature remains largely unexplored. Here, we have utilized IBM's Kolkata quantum processor to demonstrate an unexpected robustness of quantum many-body scars at finite temperatures when the system is prepared in a thermal Gibbs ensemble. We identify such robustness in the PXP model, which describes quantum many-body scars in experimental systems of Rydberg atom arrays and ultracold atoms in tilted Bose-Hubbard optical lattices. By contrast, other theoretical models which host exact quantum many-body scars are found to lack such robustness and their scarring properties quickly decay with temperature. Our study sheds light on the important differences between scarred models in terms of their algebraic structures, which impacts their resilience to finite temperature. Published by the American Physical Society 2024

Fluctuation Phenomena in Single Injection Solid State Spherical Devices under Amorphous Regime

Fluctuation effects in single injection solid-state sphere devices working in the amorphous regime are an interesting area of study that has effects on the stability and performance of electronic devices. This study looks into how changes in these devices' working features affect them, focused on how they act when they are in a fluid state. Solid-state sphere devices have unique electrical and structure properties. These properties are more noticeable in amorphous materials, where the disorder of the atoms affects how charges move and how reliable the device is. We look at the fluctuation effects that happen during single injection processes, in which carriers are brought into the device from a single source. It is called an amorphous phase because there is no long-range order. The inserted charge carriers and the disordered atomic lattice respond in a complicated way. The device's efficiency measures, like charge build up, current-voltage traits, and noise levels, change a lot because of this interaction. In order to describe these changes, our research uses both practical and theoretical methods. We use advanced measurement methods to find out about electrical reactions and noise bands, and we're also making theoretical models to figure out how the things we see happen. The results show that changes are affected by things like carrier trapping, limited states, and dynamic disorder in the amorphous material. The results of this study help us learn more about how stable and reliable single-injection solid-state sphere devices are in amorphous environments. These results could help improve the performance of amorphous materials used in many electronic and optical systems by making device designs more efficient.