First-principles study of ferroelectricity and isotope effects in H-bonded KDP crystals
classification
❄️ cond-mat.mtrl-sci
keywords
first-principlesisotopeassociatedcalculationscrystalseffecteffectsextensive
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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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