Expand description
Electron transport (milestone M1, docs/architecture.md).
data holds the validated types the electron engine consumes (optical
energy-loss functions, subshell binding energies and precomputed
cross-section tables). elastic solves the radial Dirac equation for one
screened potential at one energy (phase shifts, Mott cross sections), with
optional Furness-McCarthy exchange and correlation-polarization corrections
built from an explicit atomic electron density (both off by default);
elastic::table turns it into elastic cross-section tables for a
material.
inelastic holds the dielectric-function models of inelastic
scattering; so far the single-pole Penn algorithm, with its IMFP, stopping
power and the sum rules of the optical input. transport is the
event-by-event loop over layered stacks on those tables; secondary makes
secondary electrons at its inelastic events and boundary holds the
per-layer band parameters and the potential step at faces. phonon holds
the opt-in insulator channels the loop can add per layer (Fröhlich
LO-phonon scattering, polaron trapping). The models that fill the tables
from first principles are later work. knock_on is the displacement
threshold test of a beam energy against each element’s E_d (pure
kinematics, no transport).
Modules§
- boundary
- Surfaces and interfaces for the electron loop: per-material band parameters (Fermi energy and inner potential) and the quantum-mechanical potential step.
- data
- Data the electron engine consumes, as validated types.
- elastic
- Elastic scattering of electrons by a static central potential: the radial Dirac equation, partial-wave phase shifts and the Mott cross sections.
- inelastic
- Inelastic electron scattering from dielectric-function models.
- knock_
on - Knock-on (displacement) threshold report for an electron beam.
- phonon
- Insulator energy-loss channels for low-energy electrons: Fröhlich longitudinal-optical (LO) phonon scattering (emission and absorption) and polaron trapping.
- secondary
- Secondary-electron generation at inelastic events.
- transport
- Event-by-event electron transport in a layered stack, on precomputed cross-section tables, with secondary electrons and surface barriers.