368 citations · 1.1k across the 26 of their papers we have counts for
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TRIQS/DFTTools: A TRIQS application for ab initio calculations of correlated materials
Markus Aichhorn, Leonid Pourovskii, Priyanka Seth +9
We present the TRIQS/DFTTools package, an application based on the TRIQS library that connects this toolbox to realistic materials calculations based on density functional theory (…
Spin density wave instabilities in the NbS2 monolayer
F. Güller, V. L. Vildosola, A. M. Llois
In the present work, we study the magnetic properties of the NbS2 monolayer by first-principles calculations. The transition metal dichalcogenides (TMDC) are a family of laminar ma…
Tuning the electronic properties at the surface of BaBiO3 thin films
Cristian Ferreyra, Francisco Guller, Florencia Marchini +7
The presence of 2D electron gases at surfaces or interfaces in oxide thin films remains a hot topic in condensed matter physics. In particular, BaBiO3 appears as a very interesting…
Reliability of the one-crossing approximation in describing the Mott transition
V. Vildosola, L. V. Pourovskii, L. O. Manuel +1
We assess the reliability of the one-crossing approximation (OCA) approach in quantitative description of the Mott transition in the framework of the dynamical mean field theory (D…