Potentials generated with potfit

This page contains a non-conclusive list of potentials created with potfit.

A detailed description and the potentials in potfit-format are available on the pages listed below:

Ba-Ge / Ba-Si

ADP potentials for dynamic properties of Ba-Ge and Ba-Si clathrate systems

Al-Pd-Mn

EAM potential for the $\xi$ phases of Al-Pd-Mn

Al-Ni-Co

Potentials for basic Ni-rich d-AlNiCo quasicrystal and approximants

Al$_2$-O$_3$

Pair potential with electrostatic contributions (both coulombic and dipolar) for crystalline $\alpha$-alumina (Al$_2$O$_3$)

Ca-Cd

Potential to model low-temperature structures of the CaCd$_{5.6}$ quasicrystal and related approximants.

Mg-O

Pair potential with electrostatic contributions (both coulombic and dipolar) for liquid magnesia (MgO)

Mg-Zn

Potential to simulate vibrational properties of the MgZn$_2$ Laves phase and related phases at ambient temperature.

Si-O$_2$

Pair potential with electrostatic contributions (both coulombic and dipolar) for liquid silica (SiO$_2$)