collaborators

1 paper

cond-mat.mtrl-sci2004

First-principles study of ferroelectricity and isotope effects in H-bonded KDP crystals

S. Koval, J. Kohanoff, J. A. Lasave +2

By means of extensive first-principles calculations we studied the ferroelectric phase transition and the associated isotope effect in KH2PO4 (KDP)