Ferroelectricity and isotope effects in hydrogen-bonded KDP crystals

Details Ferroelectricity and isotope effects in hydrogen-bonded KDP crystals Ferroelectricity and isotope effects in hydrogen-bonded KDP crystals

2002-06-03

arxiv.org/abs/cond-mat/0206029v1

Physics

Condensed Matter

Materials Science

4 two-column pages, 4 figures

Scientific paper

10.1103/PhysRevLett.89.187602

Based on an accurate first principles description of the energetics in H-bonded KDP, we conduct a first study of nuclear quantum effects and of the changes brought about by deuteration. Cluster tunneling involving also heavy ions is allowed, the main effect of deuteration being a depletion of the proton probability density at the O-H-O bridge center, which in turn weakens its proton-mediated covalent bonding. The ensuing lattice expansion couples selfconsistently with the proton off-centering, thus explaining both the giant isotope effect, and its close connection with geometrical effects.

Affiliated with

Also associated with

No associations

Rating

Ferroelectricity and isotope effects in hydrogen-bonded KDP crystals does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Ferroelectricity and isotope effects in hydrogen-bonded KDP crystals, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Ferroelectricity and isotope effects in hydrogen-bonded KDP crystals will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-95626