Is the ground state of 5d4 double-perovskite Iridate Ba2YIrO6 magnetic or nonmagnetic?

Hoshin Gong; Kyoo Kim; Beom Hyun Kim; Bongjae Kim; Junwon Kim; B. I. Min

doi:10.1016/j.jmmm.2018.01.051

Is the ground state of 5d⁴ double-perovskite Iridate Ba₂YIrO₆ magnetic or nonmagnetic?

Hoshin Gong, Kyoo Kim, Beom Hyun Kim, Bongjae Kim, Junwon Kim, B. I. Min

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Abstract

We have investigated electronic structures and magnetic properties of double perovskite Iridate Ba₂YIrO₆ with 5d⁴ configuration, employing the exact diagonalization method for multi-site clusters. We have considered a many-body Hamiltonian for all d states (e_g and t_2g) including all relevant physical parameters such as the Coulomb correlation, spin-orbit coupling, crystal-field effect, and Hund coupling. We have found that the ground state of Ba₂YIrO₆ is nonmagnetic and that the Hund coupling plays an important role in the magnetic properties of the 5d⁴ systems, unlike the well-studied 5d⁵ systems.

Original language	English
Pages (from-to)	66-70
Number of pages	5
Journal	Journal of Magnetism and Magnetic Materials
Volume	454
DOIs	https://doi.org/10.1016/j.jmmm.2018.01.051
State	Published - 15 May 2018

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10.1016/j.jmmm.2018.01.051

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@article{52395730cf2b461aa1b6db3ff04cd677,

title = "Is the ground state of 5d4 double-perovskite Iridate Ba2YIrO6 magnetic or nonmagnetic?",

abstract = "We have investigated electronic structures and magnetic properties of double perovskite Iridate Ba2YIrO6 with 5d4 configuration, employing the exact diagonalization method for multi-site clusters. We have considered a many-body Hamiltonian for all d states (eg and t2g) including all relevant physical parameters such as the Coulomb correlation, spin-orbit coupling, crystal-field effect, and Hund coupling. We have found that the ground state of Ba2YIrO6 is nonmagnetic and that the Hund coupling plays an important role in the magnetic properties of the 5d4 systems, unlike the well-studied 5d5 systems.",

author = "Hoshin Gong and Kyoo Kim and Kim, {Beom Hyun} and Bongjae Kim and Junwon Kim and Min, {B. I.}",

note = "Publisher Copyright: {\textcopyright} 2018 Elsevier B.V.",

year = "2018",

month = may,

day = "15",

doi = "10.1016/j.jmmm.2018.01.051",

language = "English",

volume = "454",

pages = "66--70",

journal = "Journal of Magnetism and Magnetic Materials",