Ab-initio calculations of electric field gradient in Ru compounds and their implication on the nuclear quadrupole moments of $$^{99}\hbox {Ru}$$ 99 Ru and $$^{101}\hbox {Ru}$$ 101 Ru

Pramana ◽  
2017 ◽  
Vol 89 (2) ◽  
Author(s):  
S N Mishra
Keyword(s):  
Electric Field ◽  
Ab Initio Calculations ◽  
Electric Field Gradient ◽  
Ab Initio ◽  
Field Gradient ◽  
Quadrupole Moments ◽  
Nuclear Quadrupole ◽  
Nuclear Quadrupole Moments

Monitoring LaMnO 3 Jahn–Teller distortion via electric-field gradient ab initio calculations

2019 ◽  
Vol 1 (4) ◽  
pp. 045001
Author(s):  
A M L Lopes ◽  
R C Teixeira ◽  
R P Moreira ◽  
H M Petrilli ◽  
L V C Assali ◽  
...  
Keyword(s):  
Electric Field ◽  
Ab Initio Calculations ◽  
Electric Field Gradient ◽  
Ab Initio ◽  
Field Gradient ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Jahn Teller Distortion

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...

The ab initio Calculation of Electric Field Gradient at the Site of P Impurity in α-Al 3 O 2

2012 ◽  
Vol 29 (9) ◽  
pp. 092102
Author(s):  
Qiao-Li Zhang ◽  
Da-Qing Yuan ◽  
Huan-Qiao Zhang ◽  
Ping Fan ◽  
Yi Zuo ◽  
...  
Keyword(s):  
Electric Field ◽  
Electric Field Gradient ◽  
Ab Initio ◽  
Field Gradient ◽  
Ab Initio Calculation
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