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JOURNALS // Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki // Archive

Pis'ma v Zh. Èksper. Teoret. Fiz., 2018 Volume 107, Issue 8, Pages 519–524 (Mi jetpl5554)

This article is cited in 1 paper

CONDENSED MATTER

Is Pauling's hypothesis violated in the hexagonal modification of ice?

M. I. Ryzhkina, I. A. Ryzhkinab

a Institute of Solid State Physics, Russian Academy of Sciences, Chernogolovka, Moscow region, Russia
b Inenergy Group of Companies, Moscow, Russia

Abstract: The effect of long-range dipole interaction on the fulfilment of Pauling’s hypothesis concerning the degeneracy of proton configurations satisfying the ice rules is studied for the case of hexagonal ice. It is shown that the ice rules imply a significant reduction of the contributions to the ground state energy from the next-nearest neighbors. The ground state energy of proton subsystem as a function of quasimomentum ceases to change if more than a hundred primitive unit cells in each direction are taken into account. The final amplitude of the energy changes are about 70 K. The analysis reveals the proton ordering in hexagonal ice with the simple unit cell of the oxygen sublattice is impossible. However, that does not exclude proton ordering with a more complex cell caused by distortion of the hexagonal oxygen lattice.

Received: 17.01.2018
Revised: 16.03.2018

DOI: 10.7868/S0370274X18080106


 English version:
Journal of Experimental and Theoretical Physics Letters, 2018, 107:8, 500–505

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