116 citations · 1.2k across the 32 of their papers we have counts for
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Correlated electronic structure and chemical bonding of Ce pnictides and gamma-Ce
Mikhail S. Litsarev, Igor Di Marco, Patrik Thunstrom +1
We present calculated spectral properties and lattice parameters for cerium pnictides (CeN, CeP, CeAs, CeSb, CeBi) and gamma-Ce, within the LDA/GGA+DMFT (local density approximatio…
Electron correlations in MnGaAs as seen by resonant electron spectroscopy and dynamical mean field theory
I. Di Marco, P. Thunström, M. I. Katsnelson +5
After two decades from the discovery of ferromagnetism in Mn-doped GaAs, its origin is still debated, and many doubts are related to the electronic structure. Here we report an exp…
Electronic entanglement in late transition metal oxides
Patrik Thunström, Igor Di Marco, Olle Eriksson
Here we present a study of the entanglement in the electronic structure of the late transition metal monoxides - MnO, FeO, CoO, and NiO - obtained by means of density-functional th…
Phonon spectrum, thermodynamic properties, and pressure-temperature phase diagram of uranium dioxide
Bao-Tian Wang, Ping Zhang, Raquel Lizárraga +2
We present a study of the structural phase transition, mechanical and thermodynamic properties of UO by means of the local density approximation (LDA) approach. A phase t…