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

S. Koval; J. Kohanoff; J. A. Lasave; G. Colizzi; R. Migoni

doi:10.1103/PhysRevB.71.184102

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

Materials Science 2009-11-10 v1

Authors: S. Koval , J. Kohanoff , J. A. Lasave , G. Colizzi , R. Migoni

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Abstract

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

Keywords

first-principles calculations ferroelectric phase transition isotope effect KDP crystals hydrogen bonding

Cite

@article{arxiv.cond-mat/0407707,
  title  = {First-principles study of ferroelectricity and isotope effects in H-bonded KDP crystals},
  author = {S. Koval and J. Kohanoff and J. A. Lasave and G. Colizzi and R. Migoni},
  journal= {arXiv preprint arXiv:cond-mat/0407707},
  year   = {2009}
}