Simple bond‐charge model for bending force constants of linear symmetric triatomic molecules

1973 ◽  
Vol 59 (8) ◽  
pp. 3934-3936 ◽  
Author(s):  
N. K. Ray ◽  
Robert G. Parr
Keyword(s):  
Force Constants ◽  
Triatomic Molecules ◽  
Bending Force ◽  
Charge Model ◽  
Bond Charge ◽  
Bond Charge Model

scholarly journals Lattice dynamics of II-VI materials using the adiabatic bond-charge model

1996 ◽  
Vol 53 (14) ◽  
pp. 9052-9058 ◽  
Author(s):  
B. D. Rajput ◽  
D. A. Browne
Keyword(s):  
Lattice Dynamics ◽  
Charge Model ◽  
Bond Charge ◽  
Bond Charge Model

Determination of electric field gradient parameters in tellurium

1976 ◽  
Vol 54 (16) ◽  
pp. 1692-1698 ◽  
Author(s):  
K. Hamilton ◽  
B. M. Powell ◽  
P. Martel
Keyword(s):  
Electric Field ◽  
Electric Field Gradient ◽  
Field Gradient ◽  
Inelastic Neutron Scattering ◽  
Mean Square Displacement ◽  
Inelastic Neutron ◽  
Charge Model ◽  
Bond Charge ◽  
Bond Charge Model

The relative intensities of the Mössbauer doublet in Te have been analysed at 4 K and 80 K by utilizing values of the mean square displacement tensor derived from inelastic neutron scattering measurements. The orientation β of the electric field gradient ellipsoid and its asymmetry parameter η have been determined. At 4 K, β = 90°, η = −0.17 and at 80 K, β = 92°, η = −0.48. A simple 'bond charge' model is proposed in an attempt to understand the discrepancy between these values of the electric field gradient parameters and those obtained theoretically by other authors.

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