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- W2886723251 abstract "We have studied the influence of electron correlation energy (U) and exchange correlation energy (J) on the electronic structure of 3d1 - 3d2 AVO3 perovskites using all-electron full-potential linearized augmented plane wave method within density functional theory. Electronic band structure calculations with generalized gradient approximation (GGA) formalism fail to describe the correct ground states whereas our GGA+U approach with an optimum U and J parameters has predicted the correct electronic structure of these AVO3 perovskites." @default.
- W2886723251 created "2018-08-22" @default.
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- W2886723251 date "2018-01-01" @default.
- W2886723251 modified "2023-10-16" @default.
- W2886723251 title "Electronic structure of strongly correlated AVO3 systems" @default.
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- W2886723251 doi "https://doi.org/10.1063/1.5050747" @default.
- W2886723251 hasPublicationYear "2018" @default.
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