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J. Fernández Afonso

Publications and source records attributed to J. Fernández Afonso.

2 recordsLinked to original sources

Chemical pressure effect on the optical conductivity of the nodal-line semimetals ZrSi$Y$ ($Y$=S, Se, Te) and ZrGe$Y$ ($Y$=S, Te)

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 ZrSiS and related compounds ZrSiSe, ZrSiTe, ZrGeS, and ZrGeTe by reflectivity measurements over a broad frequency range combined with density functional theory calculations. The optical conductivity exhibits a distinct U shape, ending at a sharp peak at around 10000~cm$^{-1}$ for all studied compounds, except for ZrSiTe. The U shape of the optical conductivity is due to transitions between the linearly dispersing bands crossing each other along the nodal line. The sharp high-energy peak is related to transitions between almost parallel bands, and its energy position depends on the interlayer bonding correlated with the $c$/$a$ ratio, which can be tuned by either chemical or external pressure. For ZrSiTe, another pair of crossing bands appears in the vicinity of the Fermi level, corrugating the nodal-line electronic structure and leading to the observed difference in optical conductivity. The findings suggest that the Dirac physics in Zr$XY$ compounds with $X$=Si, Ge and $Y$=S, Se, Te is closely connected to the interlayer bonding.

cond-mat.mtrl-sci↗

Theoretical investigation of excitonic magnetism in LaSrCoO$_{4}$

We use the LDA+U approach to search for possible ordered ground states of LaSrCoO$_4$. We find a staggered arrangement of magnetic multipoles to be stable over a broad range of Co $3d$ interaction parameters. This ordered state can be described as a spin-denity-wave-type condensate of $d_{xy} \otimes d_{x^2-y^2}$ excitons carrying spin $S=1$. Further, we construct an effective strong-coupling model, calculate the exciton dispersion and investigate closing of the exciton gap, which marks the exciton condensation instability. Comparing the layered LaSrCoO$_4$ with its pseudo cubic analog LaCoO$_3$, we find that for the same interaction parameters the excitonic gap is smaller (possibly vanishing) in the layered cobaltite.

cond-mat.str-el↗