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Physical Review B
This paper reports the results of lattice dynamics simulation of CsH 2 PO 4 and CsD 2 PO 4 crystals in paraelectric and ferroelectric phase using a semiempirical atomistic model based on the Coulomb, short range, covalent, and van der Waals interactions. The peculiarity of the two types of hydrogen bonds is taken into consideration too. The tunneling of protons ͑deuterons͒ on the one type of hydrogen bonds above the phase transition point was simplified through keeping the H͑D͒ atom position atdoi:10.1103/physrevb.74.054301 fatcat:hu7pl4g7trb47btcyssdm454r4