Three-dimensional description of vibration-assisted electron knock-on damage
arXiv:2111.14498 · doi:10.1103/PhysRevB.105.235419
Abstract
Elastic knock-on is the main electron irradiation damage mechanism in metals including graphene. Atomic vibrations influence its cross-section, but only the out-of-plane direction has been considered so far in the literature. Here, we present a full three-dimensional theory of knock-on damage including the effect of temperature and vibrations to describe ejection into arbitrary directions. We thus establish a general quantitative description of electron irradiation effects through elastic scattering. Applying our methodology to in-plane jumps of pyridinic nitrogen atoms, we show their observed rates imply much stronger inelastic effects than in pristine graphene.
arXiv comment5 pages, 2 figures, 1 table (+ supplement)
References in corpus (16)
- Optimized norm-conserving Vanderbilt pseudopotentials
- The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
- An accurate measurement of electron beam induced displacement cross sections for single-layer graphene
- Control of Radiation Damage in MoS2 by Graphene Encapsulation
- Stone-Wales--type transformations in carbon nanostructures driven by electron irradiation
- Manipulating low-dimensional materials down to the level of single atoms with electron irradiation
- The pristine atomic structure of MoS2 monolayer protected from electron radiation damage by graphene
- Silicon-carbon bond inversions driven by 60 keV electrons in graphene
- Quantifying transmission electron microscopy irradiation effects using two-dimensional materials
- Single atom manipulation and control in a scanning transmission electron microscope
- Atomic Configuration of Nitrogen Doped Single-Walled Carbon Nanotubes
- Electron-Beam Manipulation of Silicon Dopants in Graphene
- Towards atomically precise manipulation of 2D nanostructures in the electron microscope
- Single-atom spectroscopy of phosphorus dopants implanted into graphene
- Isotope analysis in the transmission electron microscope
- Influence of temperature on the displacement threshold energy in graphene