Struct OpticalElf 

pub struct OpticalElf { /* private fields */ }

A tabulated optical energy-loss function ELF(ħω) = Im[-1/ε(ω)] of one material, at zero momentum transfer.

The ELF is the quantity a dielectric-function inelastic model extends into momentum transfer (Ritchie, Phys. Rev. 106, 874 (1957); Penn, Phys. Rev. B 35, 482 (1987)). It is dimensionless.

Invariants (checked by OpticalElf::new and by every loader): non-blank material and provenance; at least two samples; photon energies ħω finite, positive and strictly increasing; ELF values finite and non-negative (zero is allowed, e.g. inside a band gap), one per energy.

Interpolation is piecewise linear in (ħω, ELF). It reproduces the tabulated values at the knots, never goes negative, and handles zero-valued ELF (where log-log interpolation would fail). Queries outside [ħω_min, ħω_max] are an ElectronDataError::OutOfRange error: nothing is extrapolated here. Extrapolation to high energy (for example by a sum rule or atomic photoabsorption data) belongs to a later physical model.

TOML form (all four keys required, no others accepted):

material = "Si"
provenance = "Author, Journal vol, page (year), Table N"
energy_ev = [1.0, 10.0, 16.7, 100.0]
elf = [0.0, 0.5, 4.0, 0.1]

Implementations

impl OpticalElf

pub fn new( material: impl Into<String>, provenance: impl Into<String>, energy_ev: Vec<f64>, elf: Vec<f64>, ) -> Result<Self, ElectronDataError>

Build a validated ELF table. See the type docs for the invariants.

pub fn from_toml_str(text: &str) -> Result<Self, ElectronDataError>

Parse and validate the TOML form (see the type docs).

pub fn from_toml_file(path: impl AsRef<Path>) -> Result<Self, ElectronDataError>

Load the TOML form from a file.

pub fn material(&self) -> &str

Material identity, as declared by the data.

pub fn provenance(&self) -> &str

Provenance string (to be copied into run metadata).

pub fn energy_ev(&self) -> &[f64]

Tabulated photon energies ħω, eV.

pub fn elf_values(&self) -> &[f64]

Tabulated ELF values (dimensionless), one per energy.

pub fn energy_range_ev(&self) -> (f64, f64)

The tabulated range (min, max) of ħω, eV.

pub fn elf(&self, energy_ev: f64) -> Result<f64, ElectronDataError>

ELF(ħω) by piecewise-linear interpolation; an error outside the tabulated range.

Trait Implementations

impl Clone for OpticalElf

fn clone(&self) -> OpticalElf

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for OpticalElf

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for OpticalElf

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for OpticalElf

fn eq(&self, other: &OpticalElf) -> bool

Equality operator ==.

fn ne(&self, other: &Rhs) -> bool

Inequality operator !=.

impl Serialize for OpticalElf

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl StructuralPartialEq for OpticalElf