相关论文: 3D atomic structure determination with ultrashort-…

Ultrafast electron diffraction (UED) is a powerful method for studying time-resolved structural changes. Currently, space charge induced temporal broadening prevents obtaining high brightness electron pulses with sub-100 fs durations…

Three-dimensional charge density maps computed by first-principles methods provide information about atom positions and the bonds between them, data which is particularly valuable when trying to understand the properties of point defects,…

Atomic scale simulations are a key element of modern science in that they allow to understand, and even predict, complex physical or chemical phenomena on the basis of the fundamental laws of nature. Among the different existing atomic…

Ba2MnTeO6 was first characterised using X-ray diffraction and reported to show a small distortion1 from the idealised cubic perovskite which displays face-centred cubic arrangement of Mn2+. A recent report has asserted that this leads to a…

Finding Minimum Energy Configurations (MECs) is essential in fields such as physics, chemistry, and materials science, as they represent the most stable states of the systems. In particular, identifying such MECs in multi-component alloys…

Crystallography, the primary method for determining the three-dimensional (3D) atomic positions in crystals, has been fundamental to the development of many fields of science. However, the atomic positions obtained from crystallography…

We present a new analysis method for atomic resolution four-dimensional scanning transmission electron microscopy (4D-STEM, in which a diffraction pattern is collected at each point of a raster scan of a focused electron beam across the…

Atom probe tomography (APT) is ideally suited to characterize and understand the interplay of chemical segregation and microstructure in modern multicomponent materials. Yet, the quantitative analysis typically relies on human expertise to…

We report extensive all-electron time-dependent density-functional calculations and nonresonant inelastic x-ray scattering measurements of the dynamical structure factor of 3d transition metals. For small wave vectors, a plasmon peak is…

Atomic layer deposition (ALD) provides uniform and conformal thin films that are of interest for a range of applications. To better understand the properties of amorphous ALD films, we need improved understanding of their local atomic…

It has been argued that in atomic-resolution transmission electron microscopy (TEM) of sparse weakly scattering structures, such as small biological molecules, multiple electron scattering usually has only a small effect, while the…

Diffraction Anomalous Fine Structure (DAFS) spectroscopy uses resonant elastic x-rays scattering as an atomic, shell and site selective probe that gives information on the electronic structure and the local atomic environment as well as on…

Energetic electrons inside Earth's outer Van Allen belt pose a major radiation threat to space-borne electronics that often play vital roles in our modern society. Ultra-relativistic electrons with energies greater than or equal to two…

We describe a novel search for MeV-to-GeV-mass dark matter, in which the dark matter scatters off electrons in a scintillating target. The excitation and subsequent de-excitation of the electron produces one or more photons, which could be…

The routine atomic-resolution structure determination of single particles is expected to have profound implications for probing the structure-function relationship in systems ranging from energy materials to biological molecules.…

Machine learning is rapidly accelerating materials and chemical discovery, but most current models target energies, forces, or selected molecular properties rather than the underlying many-body electronic structure. Learning…

An exact solution for electromagnetic wave diffraction at the junction of two-dimensional electron systems (2DES) is obtained and analyzed for electric field polarized along the edge. A special emphasis is paid to the metal-contacted and…

We propose a new concept of an electron source for ultrafast electron diffraction with sub-10~fs temporal resolution. Electrons are generated in a laser-plasma accelerator, able to deliver femtosecond electron bunches at 5 MeV energy with…

The field of two-dimensional (2D) materials has grown dramatically in the last two decades. 2D materials can be utilized for a variety of next-generation optoelectronic, spintronic, clean energy, and quantum computation applications. These…

We report fast atom diffraction through single-layer graphene using hydrogen atoms at kinetic energies from 150 to 1200 eV. High-resolution images reveal overlapping hexagonal patterns from coexisting monocrystalline domains. Time-of-flight…