Strongly correlated solids display many characteristic phases and phase transitions. For different phases present in solids different groups of orbitals are differently occupied and the orbital energy ordering changes significantly. In this talk, I will discuss different strongly correlated solids such as SrMnO3, NdNiO2, BiVO3, and RNiC2 where R is a rare-earth element. I will focus on differences in the band structure, orbital occupation, and the orbitals near the Fermi level obtained within self-consistent GW and the self-energy embedding theory (SEET) as a function of temperature.

Different phases of strongly correlated solids and their orbital characteristics

ACS Fall 2021

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