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A physical optics formulation of Bloch waves and its application to 4D STEM, 3D ED and inelastic scattering simulations.
Acta Crystallogr A Found Adv
March 2025
Department of Physics, Durham University, South Road, Durham, DH1 3LE, United Kingdom.
Bloch waves are often used in dynamical diffraction calculations, such as simulating electron diffraction intensities for crystal structure refinement. However, this approach relies on matrix diagonalization and is therefore computationally expensive for large unit cell crystals. Here Bloch wave theory is re-formulated using the physical optics concepts underpinning the multislice method.
View Article and Find Full Text PDFActivation and Catalysis of Methane over Metal-Organic Framework Materials.
Acc Mater Res
January 2025
Department of Chemistry, University of Manchester, Manchester M13 9PL, U.K.
Methane (CH), which is the main component of natural gas, is an abundant and widely available carbon resource. However, CH has a low energy density of only 36 kJ L under ambient conditions, which is significantly lower than that of gasoline (. 34 MJ L).
View Article and Find Full Text PDFDistinguishing Charged Lepton Flavor Violation Scenarios with Inelastic μ→e Conversion.
Phys Rev Lett
December 2024
University of California, Department of Physics, Berkeley, California 94720, USA.
The Mu2e and COMET experiments are expected to improve existing limits on charged lepton flavor violation (CLFV) by roughly 4 orders of magnitude. μ→e conversion experiments are typically optimized for electrons produced without nuclear excitation, as this maximizes the electron energy and minimizes backgrounds from the free decay of the muon. Here we argue that Mu2e and COMET will be able to extract additional constraints on CLFV from inelastic μ→e conversion, given the ^{27}Al target they have chosen and backgrounds they anticipate.
View Article and Find Full Text PDFEvidence of Dirac Quantum Spin Liquid in YbZn_{2}GaO_{5}.
Phys Rev Lett
December 2024
Duke University, Department of Physics, Durham, North Carolina 27708, USA.
The emergence of a quantum spin liquid (QSL), a state of matter that can result when electron spins are highly correlated but do not become ordered, has been the subject of a considerable body of research in condensed matter physics [1,2]. Spin liquid states have been proposed as hosts for high-temperature superconductivity [3] and can host topological properties with potential applications in quantum information science [4]. The excitations of most quantum spin liquids are not conventional spin waves but rather quasiparticles known as spinons, whose existence is well established experimentally only in one-dimensional systems; the unambiguous experimental realization of QSL behavior in higher dimensions remains challenging.
View Article and Find Full Text PDFWhen Photoelectrons Meet Gas Molecules: Determining the Role of Inelastic Scattering in Ambient Pressure X-ray Photoelectron Spectroscopy.
ACS Cent Sci
January 2025
Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States.
Inelastic photoelectron scattering (IPES) by gas molecules, a critical phenomenon observed in ambient pressure X-ray photoelectron spectroscopy (APXPS), complicates spectral interpretation due to kinetic energy loss in the primary spectrum and the appearance of additional features at higher binding energies. In this study, we systematically investigate IPES in various gas environments using APXPS, providing detailed insights into interactions between photoelectrons emitted from solid surfaces and surrounding gas molecules. Core-level XPS spectra of Au, Ag, Zn, and Cu metals were recorded over a wide kinetic energy range in the presence of CO, N, Ar, and H gases, demonstrating the universal nature of IPES across different systems.
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