Magnetically Induced Electric Field Gradient at the Nucleus of High-SpinFe2+Ion in Distorted Cubic Crystal Field

1971 ◽  
Vol 3 (5) ◽  
pp. 1649-1655 ◽  
Author(s):  
R. Kamal ◽  
R. G. Mendiratta
Keyword(s):  
Electric Field ◽  
Electric Field Gradient ◽  
Field Gradient ◽  
Crystal Field ◽  
Cubic Crystal

CALCULATION OF ELECTRIC FIELD GRADIENT AND CRYSTAL FIELD PARAMETERS IN RARE EARTH METALS

1993 ◽  
Vol 07 (01n03) ◽  
pp. 609-613 ◽  
Author(s):  
J. KURIPLACH ◽  
P. NOVÁK
Keyword(s):  
Rare Earth ◽  
Electric Field ◽  
Electric Field Gradient ◽  
Field Gradient ◽  
Crystal Field ◽  
Rare Earth Metals ◽  
Full Potential ◽  
Spin Polarized ◽  
Core Electrons ◽  
Crystal Field Parameters

Electronic structure of hcp rare earth metals Gd, Tb, Dy, Lu and rare-earth-like Y is calculated using the spin-polarized version of the full potential LAPW method. The electric field gradient at the nucleus site is determined from the nonspherical part of the charge density. Crystal field parameters are obtained from the nonspherical components of self-consistent potential. The influence of the state of the 4f-system on the valence and semi-core electrons is investigated.

Spontaneous electric polarization and electric field gradient in hybrid improper ferroelectrics: insights and correlations

2021 ◽  
Author(s):  
Samuel Silva dos Santos ◽  
Michel L. Marcondes ◽  
Ivan P. Miranda ◽  
Pedro Rocha-Rodrigues ◽  
Lucy Vitória Credidio Assali ◽  
...  
Keyword(s):  
Electric Field ◽  
Electric Field Gradient ◽  
Ab Initio ◽  
Field Gradient ◽  
Electric Polarization ◽  
Double Perovskites

An ab-initio study for several hybrid improper ferroelectric (HIF) materials in the Ruddlesden-Popper phases and double perovskites structures is here presented. The focus is on the correlation between the electric...

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