scholarly journals Electronic structure, magnetism, and exchange integrals in transition-metal oxides: Role of the spin polarization of the functional in DFT+ U calculations

2018 ◽  
Vol 97 (18) ◽  
Author(s):  
Samara Keshavarz ◽  
Johan Schött ◽  
Andrew J. Millis ◽  
Yaroslav O. Kvashnin
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Metal Oxides ◽  
Spin Polarization ◽  
Transition Metal Oxides

scholarly journals Influence of shallow core-level hybridization on the electronic structure of post-transition-metal oxides studied using soft X-ray emission and absorption

2003 ◽  
Vol 68 (16) ◽  
Author(s):  
Cormac McGuinness ◽  
Cristian B. Stagarescu ◽  
Philip J. Ryan ◽  
James E. Downes ◽  
Dongfeng Fu ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Metal Oxides ◽  
Transition Metal Oxides ◽  
Core Level ◽  
X Ray
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