First-principles study of ferroelectricity and isotope effects in H-bonded KDP crystals
arXiv:cond-mat/0407707 · doi:10.1103/PhysRevB.71.184102
Abstract
By means of extensive first-principles calculations we studied the ferroelectric phase transition and the associated isotope effect in KH2PO4 (KDP)
16 pages, 10 figures