Method development

Ewald method for perovskites

The documentation: PyEwald.

Octahedron tiltings for perovskites

The documentation: PyTilting.

Understanding and predicting

SnTiO3

Perovskite SnTiO3 is well-known for hard to obtain. Until early this year (2018), it was not available (PRB, 97, 054109). We calculated the effective Hamiltonian coefficients for this material and studied how its structural phases change with temperature – the resutlts are not what we had expected …

CCTO

CCTO is – since it is hard to guess its name – quite complex. One feature of CaCu3Ti4O12 is that it has large dielectric permittivity near the room temperature. We analyze the participating dyanmic processes that make it possible.