Static and dynamic properties of KCN𝑥Cl1− 𝑥

Pramana

R K Singh²  Preeti Singh¹  Jyotsna Galgale1¹  Nupinder Kaur¹  N K Gaur¹  Manik Manake¹ 

[1] Department of Physics, Barkatullah University, Bhopal 462 026, India$$;M.P. Bhoj Open University, Bhopal 462 016, India$$

关键词: Phonon dispersion curves (PDCs);    cohesive energy;    compressibility;    neutron diffraction.;   

DOI  :  

学科分类：物理（综合）

来源: Indian Academy of Sciences

【 摘 要 】

An extended three-body force shell model (ETSM) has been applied to investigate the static and dynamic properties of KCN𝑥Cl1−𝑥 for the composition 𝑥 = 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 of 𝐾-dependent softening of the phonon due to translation–rotation coupling. The transverse acoustic branch is more soft near the zone centre.

【 授权许可】

Unknown