Vibrational modes of hydrogen in (NH<Subscript>4</Subscript>)H<Subscript>5</Subscript>(PO<Subscript>4</Subscript>)<Subscript>2</Subscript> (Neutron scattering and simulation)期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Vibrational modes of hydrogen in (NH4)H5(PO4)2 (Neutron scattering and simulation)

Authors:	L. S. Smirnov I. Natkaniec M. R. Johnson A. S. Ivanov S. I. Troyanov

Affiliation:	(1) Joint Institute for Nuclear Research, ul. Joliot-Curie 6, Dubna, Moscow region, 141980, Russia;(2) Institute of Theoretical and Experimental Physics, Bol’shaya Cheremushkinskaya ul. 25, Moscow, 117218, Russia;(3) H. Niewodniczanski Institute of Nuclear Physics, Polish Academy of Sciences, Cracow, 31-342, Poland;(4) Institut Laue-Langevin, BP 156, Cedex 9, 38042 Grenoble, France;(5) Moscow State University, Moscow, 119992, Russia

Abstract:	The vibrational modes of hydrogen in (NH₄)H₅(PO₄)₂ have been investigated by inelastic incoherent neutron scattering at temperatures above (220 K) and below (160 and 5 K) the phase-transition point T _c = 180 K. Computer simulation of vibrational modes has been performed for the low-temperature phase (NH₄)H₅(PO₄)₂ at 5 K. The calculated generalized incoherent dynamic factor and the partial incoherent dynamic factors for all hydrogens make it possible to identify the observed modes from acid hydrogens and hydrogens of ammonium ions.

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