Experimental and theoretical thermodynamic studies in Ba$_2$MgReO$_6$ -- the ground state in the context of Jahn-Teller effect
| Autor: | Jana Pásztorová, Aria Mansouri Tehrani, Ivica Živković, Nicola A Spaldin, Henrik M Rønnow |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: |
Condensed Matter - Materials Science
Strongly Correlated Electrons (cond-mat.str-el) phonons Materials Science (cond-mat.mtrl-sci) FOS: Physical sciences crystal-growth Condensed Matter Physics dft ba2mgreo6 ground state multiplet Condensed Matter - Strongly Correlated Electrons Ba2MgReO6 entropy DFT General Materials Science double perovskites |
| Zdroj: | Journal of Physics: Condensed Matter, 35 (24) |
| ISSN: | 0953-8984 1361-648X |
| Popis: | We address the degeneracy of the ground state multiplet on the 5d 1 Re6+ ion in double perovskite Ba2MgReO6 using a combination of specific heat measurements and density functional calculations. For Ba2MgReO6, two different ground state multiplets have previously been proposed—a quartet (with degeneracy N = 4) (Hirai and Hiroi 2019 J. Phys. Soc. Japan 88 064712) and a doublet (N = 2) (Marjerrison et al 2016 Inorg. Chem. 55 10701). Here we employ two independent methods for the estimation of phonon contribution in heat capacity data to obtain the magnetic entropy Smag, which reflects the degeneracy of the ground state multiplet N through Smag = R lnN. In both cases, we obtain that in the temperature range covering 2 to 120 K the released entropy is better described by Smag = R ln2. The detailed nature of the ground state multiplet in Ba2MgReO6 remains an open question. Journal of Physics: Condensed Matter, 35 (24) ISSN:0953-8984 ISSN:1361-648X |
| Databáze: | OpenAIRE |
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