A Full Interionic Potential for Na1+xZr2SixP3-xO12Superionic Conductors

2002 ◽  
Vol 124 (15) ◽  
pp. 3828-3829 ◽  
Author(s):  
P. Padma Kumar ◽  
Subramanian Yashonath
Keyword(s):  
Interionic Potential

Interionic potentials for the alkali metal chlorides

1976 ◽  
Vol 54 (24) ◽  
pp. 3839-3849 ◽  
Author(s):  
J. Corish ◽  
Brenda M. C. Parker ◽  
P. W. M. Jacobs
Keyword(s):  
Dielectric Properties ◽  
Alkali Metal ◽  
Alkali Halides ◽  
Intrinsic Defect ◽  
Alkali Metal Chlorides ◽  
Metal Chlorides ◽  
Bulk Properties ◽  
Nearest Neighbours ◽  
Interionic Potential ◽  
Central Forces

Various models for the interionic potential in the alkali metal chlorides have been examined. The parameters in these potentials have been determined by fitting the equilibrium, elastic and dielectric properties of each substance. The potentials are compared graphically with each other, with the theoretically derived potentials of Kim and Gordon (1,2) and with a potential derived earlier by Catlow, Diller, and Norgett (3) by fitting the properties of sixteen alkali halides simultaneously. Intrinsic defect properties of the four chlorides have been calculated from these potentials. The results show that while it is possible to derive adequate two-body potentials for these salts from fitting their bulk properties, it is concluded, as found earlier by Catlow, Diller, and Norgett (3), that such potentials need to have the anion–cation interaction hardened by neglecting completely the Van der Waals interaction between nearest neighbours. Inclusion of non-central forces does not improve the potential, as judged by the criterion of the results of defect calculations.

Lattice dynamics of KCN and NaCN in the antiferroelectric phase III

1984 ◽  
Vol 62 (8) ◽  
pp. 725-729 ◽  
Author(s):  
Pier Francesco Fracassi ◽  
Michael L. Klein
Keyword(s):  
Raman Spectra ◽  
Lattice Dynamics ◽  
Phase Iii ◽  
Antiferroelectric Phase ◽  
Repulsive Interactions ◽  
Interionic Potential

Lattice dynamics calculations are reported for the k = 0 modes of the ordered antiferroelectric phase III of solid potassium and sodium cyanides. The calculations are based on an interionic potential including electrostatic, dispersive, and repulsive interactions. The effect of these interactions on the librational modes of the system is discussed, and the results are compared with the observed Raman spectra for both materials.

Interionic Potential in Aluminum

1973 ◽  
Vol 7 (6) ◽  
pp. 2870-2872 ◽  
Author(s):  
M. S. Duesbery ◽  
Roger Taylor
Keyword(s):  
Interionic Potential

An Extended Interionic Potential for Alkali Halides

1981 ◽  
Vol 108 (2) ◽  
pp. 315-322 ◽  
Author(s):  
Y. V. G. S. Murti ◽  
T. V. Selvarajan
Keyword(s):  
Alkali Halides ◽  
Interionic Potential
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