9 citations · 18 across the 3 of their papers we have counts for
4 papers · 1 filter
Single-site DFT+DMFT for vanadium dioxide using bond-centered orbitals
Peter Mlkvik, Maximilian E. Merkel, Nicola A. Spaldin +1
We present a combined density-functional theory and single-site dynamical mean-field theory (DMFT) study of vanadium dioxide (VO) using an unconventional set of bond-centered o…
Probing the Mott-insulating behavior of BaMgReO with DFT+DMFT
Maximilian E. Merkel, Aria Mansouri Tehrani, Claude Ederer
We investigate the interplay of spin-orbit coupling, electronic correlations, and lattice distortions in the double perovskite BaMgReO. Combining density-functional…
Spectroscopic signatures and origin of a hidden order in BaMgReO
Jian-Rui Soh, Maximilian E. Merkel, Leonid Pourovskii +12
Clarifying the underlying mechanisms that govern ordering transitions in condensed matter systems is crucial for comprehending emergent properties and phenomena. While transitions…
Calculation of screened Coulomb interaction parameters for the charge-disproportionated insulator CaFeO
Maximilian E. Merkel, Claude Ederer
We calculate the screened electron-electron interaction for the charge-disproportionated insulator CaFeO using the constrained random-phase approximation (cRPA). While in many…