Doping-dependent bandwidth renormalization and spin-orbit coupling in (Sr${}_{1-x}$La${}_x$)${}_2$RhO${}_4$

Abstract

We investigate the electronic structure of (Sr${}_{1-x}$La${}_x$)${}_2$RhO${}_4$ using a combination of the density functional and dynamical mean-field theories. Unlike the earlier local density approximation plus Hubbard $U$ (LDA+U) studies, we find no sizable enhancement of the spin-orbit splitting due to electronic correlations and show that such an enhancement is a spurious effect of the static mean-field approximation of the LDA+U method. The electron doping suppresses the importance of electronic correlations, which is reflected in quasi-particle bandwidth increasing with $x$. (Sr${}_{1-x}$La${}_x$)${}_2$RhO${}_4$ can be classified as weakly correlated metal, which becomes an itinerant in-plane ferromagnet (but possibly A-type antiferromagnet) due to Stoner instability around $x=0.2$.

Corrected a factor of 2 error in our definition of doping x

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• Two-dimensional Peierls instability via zone boundary Dirac line nodes in layered perovskite oxides
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• The "dark phase'' in Sr${}_2$Ir${}_{1-x}$Rh${}_x$O${}_4$ revealed by Seebeck and Hall measurements
• Novel approaches to spectral properties of correlated electron materials: From generalized Kohn-Sham theory to screened exchange dynamical mean field theory