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

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

2004-07-27

arxiv.org/abs/cond-mat/0407707v1

Physics

Condensed Matter

Materials Science

16 pages, 10 figures

Scientific paper

10.1103/PhysRevB.71.184102

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

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