output
19942026
most citedNew Tolerance Factor to Predict the Stability of Perovskite Oxides and Halides

1.8k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing 2021 · cond-mat.str-elShow all

2 papers · 2 filters

cond-mat.str-el2021★ 36 cited

First principles vs second principles: Role of charge self-consistency in strongly correlated systems

Swagata Acharya, Dimitar Pashov, Alexander N. Rudenko +3

First principles approaches have been successful in solving many-body Hamiltonians for real materials to an extent when correlations are weak or moderate. As the electronic correla…

cond-mat.str-el2021★ 38 cited

Electronic Structure of Chromium Trihalides beyond Density Functional Theory

Swagata Acharya, Dimitar Pashov, Brian Cunningham +5

We explore the electronic band structure of free standing monolayers of chromium trihalides, CrX\textsubscript{3}{, X= Cl, Br, I}, within an advanced \emph{ab-initio} theoretical a…