A computer modelling study was made of bismuth germanate. A potential was derived by fitting to the structure of the material, and this potential was then used to calculate the formation energies of basic defects in Bi4Ge3O12. The information was used to draw conclusions about the defect properties of the material.

Computer Modelling of Radiation-Generated Defects in BGO Scintillators. R.A.Jackson, M.E.G.Valerio: Nuclear Instruments and Methods in Physics Research Section B, 2004, 218, 145-7