Enum BandSpec

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pub enum BandSpec {
    Metal {
        fermi_ev: f64,
        work_function_ev: f64,
        valence_binding_ev: Option<f64>,
        provenance: String,
    },
    Insulator {
        valence_band_width_ev: f64,
        band_gap_ev: f64,
        affinity_ev: f64,
        provenance: String,
    },
    FreeElectronMetal {
        valence_electrons_per_atom: f64,
        work_function_ev: f64,
        valence_binding_ev: Option<f64>,
        provenance: String,
    },
}

Expand description

Band parameters of a material (BandStructure).

Variants§

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Metal

BandModel::Metal.

Fields

§fermi_ev: f64

Fermi energy above the band bottom, eV.

§work_function_ev: f64

Work function, eV.

§valence_binding_ev: Option<f64>

Binding energy below the Fermi level of the electron a valence event liberates, eV (BandStructure::with_valence_binding_ev); absent: the Fermi level, the default.

§provenance: String

Source of the values.

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Insulator

BandModel::Insulator.

Fields

§valence_band_width_ev: f64

Valence band width, eV.

§band_gap_ev: f64

Band gap, eV.

§affinity_ev: f64

Electron affinity, eV.

§provenance: String

Source of the values.

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FreeElectronMetal

BandStructure::free_electron_metal: the Fermi energy from the free-electron relation and the material’s atom density.

Fields

§valence_electrons_per_atom: f64

Valence electrons per atom (a model choice).

§work_function_ev: f64

Work function, eV.

§valence_binding_ev: Option<f64>

As for BandSpec::Metal.

§provenance: String

Source of the work function and of the valence count (and of valence_binding_ev, if given).

Trait Implementations§

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impl Clone for BandSpec

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fn clone(&self) -> BandSpec

Returns a duplicate of the value. Read more

1.0.0 (const: unstable) · Source§

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

Performs copy-assignment from source. Read more

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impl Debug for BandSpec

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

Formats the value using the given formatter. Read more

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impl<'de> Deserialize<'de> for BandSpec

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fn deserialize<D>(deserializer: D) -> Result<Self, D::Error>
where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer. Read more

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impl PartialEq for BandSpec

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

Equality operator ==. Read more

1.0.0 (const: unstable) · Source§

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

Inequality operator !=. Read more

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impl Serialize for BandSpec

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fn serialize<S>(&self, serializer: S) -> Result<S::Ok, S::Error>
where S: Serializer,

Serialize this value into the given Serde serializer. Read more

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impl StructuralPartialEq for BandSpec

Auto Trait Implementations§

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impl UnwindSafe for BandSpec

Blanket Implementations§

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impl<T> Any for T
where T: 'static + ?Sized,

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fn type_id(&self) -> TypeId

Gets the TypeId of self. Read more

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impl<T> Borrow<T> for T
where T: ?Sized,

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fn borrow(&self) -> &T

Immutably borrows from an owned value. Read more

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impl<T> BorrowMut<T> for T
where T: ?Sized,

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fn borrow_mut(&mut self) -> &mut T

Mutably borrows from an owned value. Read more

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impl<ST, DT> CastableFrom<ST, Initialized, Initialized> for DT
where ST: ?Sized, DT: ?Sized,

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impl<ST, DT> CastableFrom<ST, Uninit, Uninit> for DT
where ST: ?Sized, DT: ?Sized,

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impl<T> CloneToUninit for T
where T: Clone,

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unsafe fn clone_to_uninit(&self, dest: *mut u8)

🔬This is a nightly-only experimental API. (clone_to_uninit)

Performs copy-assignment from self to dest. Read more

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impl<T> DeserializeOwned for T
where T: for<'de> Deserialize<'de>,

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impl<T> From<T> for T

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fn from(t: T) -> T

Returns the argument unchanged.

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impl<T, U> Into for T
where U: From<T>,

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fn into(self) -> U

Calls U::from(self).

That is, this conversion is whatever the implementation of From<T> for U chooses to do.

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impl<T> IntoEither for T

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fn into_either(self, into_left: bool) -> Either<Self, Self> ⓘ

Converts self into a Left variant of Either<Self, Self> if into_left is true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more

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fn into_either_with<F>(self, into_left: F) -> Either<Self, Self> ⓘ
where F: FnOnce(&Self) -> bool,

Converts self into a Left variant of Either<Self, Self> if into_left(&self) returns true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more

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