Scanning transmission electron microscopy (STEM) is an extremely versatile method for studying materials on the atomic scale. Many STEM experiments are supported or validated with electron scattering simulations. However, using the conventional multislice algorithm to perform these simulations can require extremely large calculation times, particularly for experiments with millions of probe positions as each probe position must be simulated independently. Recently, the plane-wave reciprocal-space interpolated scattering matrix (PRISM) algorithm was developed to reduce calculation times for large STEM simulations. Here, we introduce a new method for STEM simulation: partitioning of the STEM probe into “beamlets,” given by a natural neighbor interpolation of the parent beams. This idea is compatible with PRISM simulations and can lead to even larger improvements in simulation time, as well requiring significantly less computer random access memory (RAM). We have performed various simulations to demonstrate the advantages and disadvantages of partitioned PRISM STEM simulations. We find that this new algorithm is particularly useful for 4D-STEM simulations of large fields of view. We also provide a reference implementation of the multislice, PRISM, and partitioned PRISM algorithms.

The process of electron-beam-induced deposition (EBID) was simulated with a dynamic Monte Carlo profile simulator, and the growth of carbon, silver, and tungsten supertips was investigated to study the dependence of material composition on the spatial resolution of EBID. Because light atoms have a smaller scattering angle and a longer mean free path, the carbon supertip has the smallest lateral size and the highest aspect ratio of a bottom tip compared to silver and tungsten supertips. Thus the best spatial resolution of EBID can be achieved on materials of low atomic number. The calculation also indicated a significant contribution of primary electrons to the growth of a supertip in EBID, which is consistent with the experimental observations. These results lead to a more comprehensive understanding of EBID, which is a complex interaction process between electrons and solids.

A new Monte Carlo program, Win X-ray, is presented that predicts X-ray spectra measured with an energy dispersive spectrometer (EDS) attached to a scanning electron microscope (SEM) operating between 10 and 40 keV. All the underlying equations of the Monte Carlo simulation model are included. By simulating X-ray spectra, it is possible to establish the optimum conditions to perform a specific analysis as well as establish detection limits or explore possible peak overlaps. Examples of simulations are also presented to demonstrate the utility of this new program. Although this article concentrates on the simulation of spectra obtained from what are considered conventional thick samples routinely explored by conventional microanalysis techniques, its real power will be in future refinements to address the analysis of sample classifications that include rough surfaces, fine structures, thin films, and inclined surfaces because many of these can be best characterized by Monte Carlo methods. The first step, however, is to develop, refine, and validate a viable Monte Carlo program for simulating spectra from conventional samples.

We present high-precision measurements of pure element stable isotope pairs that demonstrate mass has no influence on the backscattering of electrons at typical electron microprobe energies. The traditional prediction of average backscatter intensities in compounds was pragmatically based on elemental mass fractions. Our isotopic measurements establish that this approximation has no physical basis. We propose an alternative model to mass fraction averaging, based on the number of electrons or protons, termed “electron fraction,” which predicts backscatter yield better than mass fraction averaging. We also present an improved backscatter (electron loss) factor based on a modified electron fraction average for the ZAF atomic number correction that provides a significant analytical improvement, especially where large atomic number corrections are required.

A significant loss in electron probe current can occur before the electron beam enters the specimen chamber of an environmental scanning electron microscope (ESEM). This loss results from electron scattering in a gaseous jet formed inside and downstream (above) the pressure-limiting aperture (PLA), which separates the high-pressure and high-vacuum regions of the microscope. The electron beam loss above the PLA has been calculated for three different ESEMs, each with a different PLA geometry: an ElectroScan E3, a Philips XL30 ESEM, and a prototype instrument. The mass thickness of gas above the PLA in each case has been determined by Monte Carlo simulation of the gas density variation in the gas jet. It has been found that the PLA configurations used in the commercial instruments produce considerable loss in the electron probe current that dramatically degrades their performance at high chamber pressure and low accelerating voltage. These detrimental effects are minimized in the prototype instrument, which has an optimized thin-foil PLA design.