相关论文: Atomic-scale mapping and quantification of local R…
For an empirical signed measure $\mu = \frac{1}{N} \left(\sum_{i=1}^P \delta_{x_i} - \sum_{i=1}^M \delta_{y_i}\right)$, particle annihilation (PA) removes $N_A$ particles from both $\{x_i\}_{i=1}^P$ and $\{y_i\}_{i=1}^M$ simultaneously,…
Scanning tunneling microscope (STM) has presented a revolutionary methodology to the nanoscience and nanotechnology. It enables imaging the topography of surfaces, mapping the distribution of electronic density of states, and manipulating…
High precision benchmark calculations for phase-shifts and mixing parameters as well as observables in elastic neutron-deuteron scattering below the deuteron breakup threshold are presented using a realistic nucleon-nucleon potential. Two…
Scanning transmission electron microscopy (STEM) has become the technique of choice for quantitative characterization of atomic structure of materials, where the minute displacements of atomic columns from high-symmetry positions can be…
In this study, we systematically investigate 3D momentum($\hbar k$)-resolved electronic structures of Ruddlesden-Popper-type iridium oxides Sr$_{n+1}$Ir$_n$O$_{3n+1}$ using soft-x-ray (SX) angle-resolved photoemission spectroscopy (ARPES).…
The atomic and electronic structures of Pd3N, PdN and PdN2 were investigated using ab initio density-functional theory (DFT). We studied cohesive energy vs. volume equation of states (EOS) for a set of reported and hypothetical structures.…
Uniform powder spreading is a requisite for creating consistent, high-quality components via powder bed additive manufacturing (AM), wherein layer density and uniformity are complex functions of powder characteristics, spreading kinematics,…
Hyperspectral neutron tomography is an effective method for analyzing crystalline material samples with complex compositions in a non-destructive manner. Since the counts in the hyperspectral neutron radiographs directly depend on the…
In this paper, we propose a new generic method for detecting the number and locations of structural breaks or change points in piecewise linear models under stationary Gaussian noise. Our method transforms the change point detection problem…
We propose a rigorous construction of a 1D path collective variable to sample structural phase transformations in condensed matter. The path collective variable is defined in a space spanned by global collective variables that serve as…
A new method for characterization of periodically poled crystals is developed based on spontaneous parametric down-conversion. The method is demonstrated on crystals of Y:LiNbO3, Mg:Y:LiNbO3 with non-uniform periodically poled structures,…
Stability of oxygen point defects in Ruddlesden-Popper oxides (La$_{1-x}$Sr$_{x}$)$_{2}$MO$_{4{\pm}{\delta}}$ (M = Co, Ni, Cu) is studied with density functional theory calculations to determine their stable sites, charge states, and…
Functional properties of nanomaterials strongly depend on their surface atomic structure, but they often become largely different from their bulk structure, exhibiting surface reconstructions and relaxations. However, most of the surface…
Extensive studies have been performed on layered compounds, ranging from layered cuprates to van der Waals materials with critical issues of intergrowths and stacking faults. However, such structures have been studied less because of…
We present a new method for the numerical treatment of second order phase transitions using the level spacing distribution function $P(s)$. We show that the quantities introduced originally for the shape analysis of eigenvectors can be…
Ruddelsden-Popper halide perovskites are highly versatile quasi-two-dimensional energy materials with a wide range of tunable optoelectronic properties. Here we use the all-inorganic Cs$_{n+1}$Pb$_n$X$_{3n+1}$ Ruddelsden-Popper perovskites…
The geometric phase analysis (GPA) algorithm is known as a robust and straightforward technique that can be used to measure lattice strains in high resolution transmission electron microscope (TEM) images. It is also attractive for analysis…
High-Throughput materials discovery involves the rapid synthesis, measurement, and characterization of many different but structurally-related materials. A key problem in materials discovery, the phase map identification problem, involves…
Atom interferometers are sensitive to a wide range of forces by encoding their signals in interference patterns of matter waves. To estimate the magnitude of these forces, the underlying phase shifts they imprint on the atoms must be…
Arrays of Rydberg atoms in the blockade regime realize a wealth of strongly correlated quantum physics, but theoretical analysis beyond the chain is rather difficult. Here we study a tractable model of Rydberg-blockade atoms on the square…