538 citations · 920 across the 15 of their papers we have counts for
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Electronic correlation in nearly free electron metals with beyond-DFT methods
Subhasish Mandal, Kristjan Haule, Karin M. Rabe +1
For more than three decades, nearly free electron elemental metals have been a topic of debate because the computed bandwidths are significantly wider in the local density approxim…
Influence of magnetic ordering on the spectral properties of binary transition metal oxides
Subhasish Mandal, Kristjan Haule, Karin M. Rabe +1
Using the ab initio embedded DMFT (eDMFT) approach, we study the effect of long-range magnetic ordering on the spectral properties in the binary transition metal oxides, and find t…
Systematic beyond-DFT study of binary transition metal oxides
Subhasish Mandal, Kristjan Haule, Karin M. Rabe +1
Various methods going beyond density-functional theory (DFT), such as DFT+U, hybrid functionals, meta-GGAs, GW, and DFT-embedded dynamical mean field theory (eDMFT), have been deve…
The role of double TiO2 layers at the interface of FeSe/SrTiO3 superconductors
Ke Zou, Subhasish Mandal, Stephen Albright +14
We determine the surface reconstruction of SrTiO3 used to achieve superconducting FeSe films in experiments, which is different from the 1x1 TiO2 terminated SrTiO3 assumed by most…