$\mathrm{LDA}+\mathrm{DMFT}$ study of Ru-based perovskite ${\mathrm{SrRuO}}_{3}$ and ${\mathrm{CaRuO}}_{3}$

Rapid Communication

$LDA + DMFT$ study of Ru-based perovskite ${SrRuO}_{3}$ and ${CaRuO}_{3}$

E. Jakobi, S. Kanungo, S. Sarkar, S. Schmitt, and T. Saha-Dasgupta

Phys. Rev. B 83, 041103(R) – Published 11 January 2011; Erratum Phys. Rev. B 83, 079902 (2011)

Abstract

We carried out a $LDA + DMFT$ study of perovskite ruthenates ${SrRuO}_{3}$ and ${CaRuO}_{3}$ , compounds which have been discussed in great detail in recent literature. Our results reproduced the observed mass enhancements and magnetic properties, and were in reasonable agreement with the measured photoemission spectra. Our calculations produced rather different coherence temperatures for ${SrRuO}_{3}$ and ${CaRuO}_{3}$ , providing a possible explanation for the observed differences between these compounds. We also present $k$ -resolved spectra for the sake of comparison with future angle-resolved photoemission experiments.