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Understanding the Curious Magnetic State of Sr$_{3}$OsO$_{6}$

Strongly Correlated Electrons 2020-06-24 v2

Abstract

Motivated by the recent report on high Tc_c ferromagnetic insulating state of single transition metal containing double perovskite compound, Sr3_3OsO6_6 (Wakabayashi et. al., Nature Commun {\bf 10} 535, 2019), we study this curious behavior by employing first-principles calculations in conjunction with exact diagonalization of full t2gt_{2g} multiplet problem of two Os sites. Our analysis highlights the fact that stabilization of Sr3_3OsO6_6 in the cubic phase in epitaxially grown thin film is the key to both ferromagnetic correlation and high temperature scale associated to it. This also provides a natural explanation for the sister compound, Ca3_3OsO6_6 to exhibit low TN_N antiferromagnetism in its monoclinic structure. Further the insulating property is found to be driven by opening of Mott gap in the half filled spin-orbit coupled j=3/2j=3/2 manifold of d2d^{2} Os. We point out that Sr2_2CaOsO6_6 which naturally forms in the cubic phase would be worthwhile to explore as a future candidate to exhibit high Tc_c ferromagnetic insulating state in bulk form.

Keywords

Cite

@article{arxiv.2005.02582,
  title  = {Understanding the Curious Magnetic State of Sr$_{3}$OsO$_{6}$},
  author = {Shreya Das and Anita Halder and Atasi Chakraborty and Indra Dasgupta and Tanusri Saha-Dasgupta},
  journal= {arXiv preprint arXiv:2005.02582},
  year   = {2020}
}

Comments

8 pages, 4 figures, to appear in Phys. Rev. B