584 citations · 584 across the 1 of their papers we have counts for
3 papers
cond-mat1998★ 584 cited
The physics of dynamical atomic charges: the case of ABO3 compounds
Ph. Ghosez, J. P. Michenaud, X. Gonze
Based on recent first-principles computations in perovskite compounds, especially BaTiO3, we examine the significance of the Born effective charge concept and contrast it with othe…
cond-mat.mtrl-sci1997
Ab initio phonon dispersion curves and interatomic force constants of barium titanate
Ph. Ghosez, X. Gonze, J. -P. Michenaud
The phonon dispersion curves of cubic BaTiO_3 have been computed within a first-principles approach and the results compared to the experimental data. The curves obtained are very…
mtrl-th1994
Born Effective Charges of Barium Titanate: band by band decomposition and sensitivity to structural features
Ph. Ghosez, X. Gonze, Ph. Lambin +1
The Born effective charge tensors of Barium Titanate have been calculated for each of its 4 phases. Large effective charges of Ti and O, also predicted by shell model calculations…