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paper

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