scholarly journals Re-evaluation of experimental measurements for the validation of electronic band structure calculations for LiFePO4 and FePO4

RSC Advances ◽  
2019 ◽  
Vol 9 (2) ◽  
pp. 1134-1146 ◽  
Author(s):  
Yin Zhang ◽  
Jose A. Alarco ◽  
Adam S. Best ◽  
Graeme A. Snook ◽  
Peter C. Talbot ◽  
...  
Keyword(s):  
Band Structure ◽  
Dft Calculations ◽  
Electronic Band Structure ◽  
Experimental Measurements ◽  
Electronic Band ◽  
Optical Gap ◽  
Band Structure Calculations ◽  
Structure Calculations

The surface Li depletion affects the determination of optical gap for LiFePO4, which was previously used for validation of DFT calculations.

Ab initio electronic band structure calculations of half-metallic c alcium pnictides

2007 ◽  
Vol 244 (12) ◽  
pp. 4643-4650 ◽  
Author(s):  
G. Jaiganesh ◽  
R. D. Eithiraj ◽  
G. Kalpana ◽  
M. Rajagopalan
Keyword(s):  
Band Structure ◽  
Ab Initio ◽  
Electronic Band Structure ◽  
Electronic Band ◽  
Half Metallic ◽  
Band Structure Calculations ◽  
Structure Calculations
Sign in / Sign up

Export Citation Format

Share Document