Static and dynamic properties of KCN<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Cl<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>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

Static and dynamic properties of KCNxCl1−x

Authors:	Jyotsna Galgale Nupinder Kaur Preeti Singh Manik Manake N. K. Gaur R. K. Singh

Affiliation:	(1) Department of Physics, Barkatullah University, 462 026 Bhopal, India;(2) M.P. Bhoj Open University, 462 016 Bhopal, India

Abstract:	An extended three-body force shell model (ETSM) has been applied to investigate the static and dynamic properties of KCN_xCl_1−x for the compositionx = 0.56 and 1.0 at 300 K. The phonon dispersion curves computed by us are compared with the single crystal neutron diffraction data. The unusual features of these curves are the upward curvature seen in some of the acoustic branches. This is a result ofK-dependent softening of the phonon due to translation-rotation coupling. The transverse acoustic branch is more soft near the zone centre.

Keywords:	Phonon dispersion curves (PDCs) cohesive energy compressibility neutron diffraction.
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