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cond-mat.mtrl-sci2020★ 10 cited
Proton strings and rings in atypical nucleation of ferroelectricity in ice
Jorge Lasave, Sergio Koval, Alessandro Laio +1
Ordinary ice has a proton-disordered phase which is kinetically metastable, unable to reach, spontaneously, the ferroelectric (FE) ground state at low temperature where a residual…
cond-mat.mtrl-sci2004
First-principles study of ferroelectricity and isotope effects in H-bonded KDP crystals
S. Koval, J. Kohanoff, J. A. Lasave +2
By means of extensive first-principles calculations we studied the ferroelectric phase transition and the associated isotope effect in KH2PO4 (KDP)