Struct OpticalBandgap 

pub struct OpticalBandgap {
    pub energies_ev: Vec<f64>,
    pub alphas: Vec<f64>,
}

Tauc-plot analysis for direct optical bandgap.

For a direct-bandgap semiconductor: (α·hν)² ∝ (hν − E_g). The bandgap E_g is extracted by linear extrapolation to the energy axis.

Fields

energies_ev: Vec<f64>

Photon energies hν (eV).

alphas: Vec<f64>

Absorption coefficients α (m⁻¹).

Implementations

impl OpticalBandgap

pub fn new(energies_ev: Vec<f64>, alphas: Vec<f64>) -> Self

Construct from paired energy / absorption vectors.

pub fn from_wavelengths(wavelengths_nm: &[f64], alphas: &[f64]) -> Self

Build from wavelength (nm) and absorption coefficient (m⁻¹) vectors.

pub fn tauc_direct(&self) -> Vec<(f64, f64)>

Tauc variable: y_i = (α·hν)² for direct bandgap.

pub fn estimate_bandgap(&self) -> Option<f64>

Estimate the bandgap by finding the linear onset region in the Tauc plot.

Fits a line to the steepest-slope segment and extrapolates to y = 0. Returns None if the data is insufficient.

Trait Implementations

impl Clone for OpticalBandgap

fn clone(&self) -> OpticalBandgap

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for OpticalBandgap

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

Formats the value using the given formatter.