Performance of hybrid functional in linear combination of atomic orbitals scheme in predicting electronic response in spinel ferrites ZnFe2O4 and CdFe2O4

2019 ◽  
Vol 55 (9) ◽  
pp. 3912-3925
Author(s):  
N. L. Heda ◽  
Kalpana Panwar ◽  
Kishor Kumar ◽  
B. L. Ahuja
Keyword(s):  
Linear Combination ◽  
Spinel Ferrites ◽  
Hybrid Functional ◽  
Atomic Orbitals ◽  
Electronic Response

scholarly journals A pencil-and-paper method for elucidating halide double perovskite band structures

2019 ◽  
Vol 10 (48) ◽  
pp. 11041-11053 ◽  
Author(s):  
Adam H. Slavney ◽  
Bridget A. Connor ◽  
Linn Leppert ◽  
Hemamala I. Karunadasa
Keyword(s):  
Linear Combination ◽  
Electronic Structures ◽  
Double Perovskite ◽  
Band Structures ◽  
Atomic Orbitals ◽  
Pencil And Paper ◽  
Paper Method

Explaining most known double perovskite electronic structures and predicting new ones using Linear Combination of Atomic Orbitals analysis.

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