jaxrts.static_structure_factors.debyeWallerFactor

jaxrts.static_structure_factors.debyeWallerFactor(k: Quantity, atomic_mass: Quantity, debye_temp: Quantity, temp: Quantity) → Quantity

Reduction of an XRD peak due to an increase in temperature (without taking to account possible phase transitions), according to [Murphy et al., 2008].

Parameters:

• k (Quantity) – The scattering vector.

• atomic_mass (Quantity) – Mass of an ion.

• debye_temp (Quantity) – The material-specific Debye Temperature.

• temp (Quantity) – The temperature of the lattice.

Returns:

Quantity – The Debye-Waller factor \(\exp(-2M)\).