TY  - JOUR
AU  - Gómez-Toledo, Marianela
AU  - López Paz, Sara Almudena
AU  - García Martín, Susana
AU  - Arroyo De Dompablo, María Elena
PY  - 2023
DO  - 10.1021/acs.inorgchem.2c03475
SN  - 0020-1669
UR  - https://hdl.handle.net/20.500.14352/73017
T2  - Inorganic Chemistry
AB  - Progress in the design of functional perovskite oxides relies on advances in density functional theory (DFT) methods to efficiently and effectively model complex systems composed of several transition-metal ions. This work reports the application of...
LA  - eng
M2  - 3445
PB  - American Chemical Society
TI  - Metal-to-Insulating Transition in the Perovskite SystemYSr2Cu2FeO8−δ (0 < δ < 1) Modeled by DFT Methods
TY  - journal article
VL  - 62
ER  -