31 citations · 71 across the 5 of their papers we have counts for
5 papers
Pressure-induced spin-state ordering in SrCoOF
Juan Fernández Afonso, Andrii Sotnikov, Atsushi Hariki +1
We study theoretically low-temperature phases of a recently synthesized compound SrCoOF under pressure. The analysis combining LDA+DMFT and a strong-coupling effective mode…
Chemical pressure effect on the optical conductivity of the nodal-line semimetals ZrSi (=S, Se, Te) and ZrGe (=S, Te)
J. Ebad-Allah, J. Fernández Afonso, M. Krottenmüller +5
ZrSiS is a nodal-line semimetal, whose electronic band structure contains a diamond-shaped line of Dirac nodes. We carried out a comparative study on the optical conductivity of Zr…
Theoretical investigation of excitonic magnetism in LaSrCoO
J. Fernández Afonso, A. Sotnikov, J. Kuneš
We use the LDA+U approach to search for possible ordered ground states of LaSrCoO. We find a staggered arrangement of magnetic multipoles to be stable over a broad range of Co…
Excitonic magnetism in perovskites
J. Fernandez Afonso, J. Kunes
We use the LDA+U method to study the possibility of exciton condensation in perovskites of transition metals with electronic configuration such as LaCoO. For realistic in…
Ab initio study of nontrivial topological phases in corundum structured MOAlO multilayers
Juan F. Afonso, Victor Pardo
\textit{Ab initio} calculations have been performed on hexagonal layers of MO (M being several transition metals of the series) sandwiched by a band insulator such as…