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Ba3MIr2O9 hexagonal perovskites in the light of spin-orbit coupling and local structural distortions
Indian Assoc Cultivat Sci, Dept Mat Sci, Kolkata 700032, India..
Indian Assoc Cultivat Sci, Dept Solid State Phys, Kolkata 700032, India..
Univ Paris Saclay, Univ Paris Sud, CNRS, Lab Phys Solides, F-91405 Orsay, France..
Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England..
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2018 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 97, no 6, article id 064408Article in journal (Refereed) Published
Abstract [en]

Spin-orbit coupling (SOC) is found to be crucial for understanding themagnetic and electronic properties of 5d transitionmetal oxides. In 5d systems, with Ir5+ ions, where ideally a nonmagnetic J = 0 ground state is expected to be stabilized in the presence of strong SOC, often spontaneous moments are generated due to hopping induced superexchange. This effect is more pronounced when the Ir atoms are close by, as in systems with Ir2O9 dimers in 6H Ba3MIr2O9 compounds where magnetism is an outcome of complex Ir-O-Ir exchange paths, and is strongly influenced by the presence of local distortions. We find that subtle variations in the local structure of Ba3MIr2O9 (M = Mg, Sr, and Ca) lead to markedly differentmagnetic properties. While SOC plays a pivotal role in explaining the insulating ground states of these systems, it is seen that Ba3MgIr2O9, having a P6(3)/mmc symmetry, does not order down to low temperature despite having antiferromagnetic exchange interactions, while Ba3CaIr2O9 shows weak dimer-like features and stabilizes in C2/c' magnetic configuration with no net moment, and Ba3SrIr2O9 possesses a ground state corresponding to themagnetic space groupC2'/c' and exhibits ferromagnet-like features.

Place, publisher, year, edition, pages
AMER PHYSICAL SOC , 2018. Vol. 97, no 6, article id 064408
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Physical Sciences Engineering and Technology
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URN: urn:nbn:se:uu:diva-346659DOI: 10.1103/PhysRevB.97.064408ISI: 000424744900010OAI: oai:DiVA.org:uu-346659DiVA, id: diva2:1192293
Available from: 2018-03-22 Created: 2018-03-22 Last updated: 2018-03-28Bibliographically approved

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Sarkar, TapatiMathieu, Roland

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