5 papers
Ab initio thermodynamic statistical modeling of the miscibility gap and the metal-insulator phase transition in SrTiVO
Luka Wibmer, Chiara Ostendorf, Dominik Spath +3
The substitutional alloy SrTiVO interpolates between the band insulator SrTiO and the correlated metal SrVO, exhibiting a composition-driven metal--insulato…
Metal Oxide Clusters in Gas Giant Exoplanet Atmospheres
Deepak Bisht, Christiane Helling, David Gobrecht +6
This study investigates the thermal stability and absorption of metal oxide clusters in exoplanetary atmospheres. Utilizing our thermochemical data, we analyze eight distinct clust…
A steady-state study of the nonequilibrium properties of SrVO
Tommaso Maria Mazzocchi, Markus Aichhorn, Enrico Arrigoni
We present the mixed-configuration approximation (MCA) based on the auxiliary master equation approach impurity solver to study multiorbital correlated systems under equilibrium an…
Dynamical control of Coulomb interactions and Hubbard bands in monolayer 1T-TaS
Niklas Notter, Markus Aichhorn, Anna Galler
Monolayer 1T-TaS hosts a star-of-David charge-density wave (CDW) that stabilizes a low-temperature Mott-insulating state. Recent time-resolved spectroscopies indicate a couplin…
Mixed-configuration approximation for multiorbital systems out of equilibrium
Tommaso Maria Mazzocchi, Daniel Werner, Markus Aichhorn +1
We propose a mixed-configuration approximation based on single-band impurity solvers to efficiently study nonequilibrium multiorbital systems at moderate computational cost. In thi…