Valence-electron contributions to the electric-field gradient in hcp metals and at Gd nuclei in intermetallic compounds with theThCr2Si2structure

1990 ◽  
Vol 42 (7) ◽  
pp. 4645-4655 ◽  
Author(s):  
R. Coehoorn ◽  
K. H. J. Buschow ◽  
M. W. Dirken ◽  
R. C. Thiel
Keyword(s):  
Electric Field ◽  
Electric Field Gradient ◽  
Intermetallic Compounds ◽  
Field Gradient ◽  
Valence Electron

Electric field gradient at 99Ru nuclei in the series of intermetallic compounds Ce1−xLaxRu2 synthesized at high pressure

2005 ◽  
Vol 135 (6) ◽  
pp. 373-376 ◽  
Author(s):  
A.V. Tsvyashchenko ◽  
G.K. Ryasny ◽  
B.A. Komissarova ◽  
L.N. Fomicheva ◽  
A.A. Sorokin
Keyword(s):  
High Pressure ◽  
Electric Field ◽  
Electric Field Gradient ◽  
Intermetallic Compounds ◽  
Field Gradient

scholarly journals Electric Field Gradient at Nb Site in the Intermetallic Compounds Nb3X (X = AI, In, Si, Ge, Sn) Measured by PAC

2000 ◽  
Vol 55 (1-2) ◽  
pp. 41-44
Author(s):  
A. C. Junqueira ◽  
A. W. Carbonari ◽  
J. Mestnik Filho ◽  
R. N. Saxena
Keyword(s):  
Electric Field ◽  
Electric Field Gradient ◽  
Intermetallic Compounds ◽  
Field Gradient ◽  
Perturbed Angular Correlation ◽  
Linear Temperature Dependence ◽  
Linear Temperature ◽  
Cubic Metals ◽  
Universal Correlation ◽  
Structure Calculations

The electric field gradient (efg) at the Nb site in the intermetallic compounds Nb3X (X = Al, In, Si, Ge, Sn) was measured by the Perturbed Angular Correlation (PAC) method using the well-known gamma-gamma cascade of 133 -482 keV in 181Ta from the β- decay of 181Hf, substituting approximately 0.1 atom percent of Nb. The PAC results show that Vzz drops by nearly 40% when X changes from Al to In, and by about 25% when X changes from Si to Ge and Sn. This behavior is most probably related to the change in the degree of sp hybridization in these compounds. The Vzz values of the studied compounds do not follow the well known universal correlation for the efg's in non-cubic metals but the observed trend is well reproduced by results of ab-initio electronic structure calculations. In the case of Nb3 Al a linear temperature dependence of the quadrupole frequencies was observed in the temperature range of 6.5 to 1210 K.

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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