A three-body force shell model calculation of Schottky defect formation energies of ionic crystals with CsCl structure

Pramana ◽  
1987 ◽  
Vol 28 (2) ◽  
pp. 217-228 ◽  
Author(s):  
V Mishra ◽  
S P Sanyal ◽  
R K Singh
Keyword(s):  
Shell Model ◽  
Model Calculation ◽  
Body Force ◽  
Defect Formation ◽  
Shell Model Calculation ◽  
Ionic Crystals ◽  
Cscl Structure ◽  
Three Body ◽  
Formation Energies

An extended three-body force shell model for the lattice-dynamics of ionic crystals

1976 ◽  
Vol 349 (1658) ◽  
pp. 289-308 ◽  
Keyword(s):  
Shell Model ◽  
Lattice Dynamics ◽  
Significant Contribution ◽  
Body Force ◽  
Cesium Chloride ◽  
Dynamical Matrix ◽  
Ionic Crystals ◽  
Range Overlap ◽  
Dynamical Description ◽  
Three Body

An extended three-body force shell model (e. t. s. m.) for the dynamics of ionic crystals of cesium chloride structure has been developed by reformulating the original t. s. m. The dynamical matrix of the model consists of the long-range Coulomb and three-body interactions and short-range overlap repulsions effective up to the second-neighbours. The off-diagonal elements of this matrix along symmetry directions contain a completely new term having significant contribution for unequal shell charges. The long-wave aspects of e. t. s. m. have been explored to describe the elastic and dielectric behaviour of the crystals. The adequacy of e. t. s. m. to describe the lattice dynamics has been investigated by applying it to the case of thallous bromide (TIBr). The overall agreement between theoretical and experimental results seems to be encouraging and gives some confidence to regard it as an appropriate model for the dynamical description of ionic crystals.

Exact Shell-Model Calculation ofNi58andNi60

1967 ◽  
Vol 161 (4) ◽  
pp. 1125-1131 ◽  
Author(s):  
Y. K. Gambhir ◽  
Ram Raj
Keyword(s):  
Shell Model ◽  
Model Calculation ◽  
Shell Model Calculation

Shell-model calculation of transition probabilities between A = 31 even-parity states

1969 ◽  
Vol 28 (10) ◽  
pp. 645-647 ◽  
Author(s):  
P.W.M. Glaudemans ◽  
A.E.L. Dieperink ◽  
R.J. Keddy ◽  
P.M. Endt
Keyword(s):  
Shell Model ◽  
Model Calculation ◽  
Transition Probabilities ◽  
Shell Model Calculation
Sign in / Sign up

Export Citation Format

Share Document