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• W4387408730 abstract "A rare class of square-planar iridate, ${mathrm{Cs}}_{2}{mathrm{Na}}_{2}{mathrm{IrO}}_{4}$, where isolated ${mathrm{IrO}}_{4}$ moieties are oriented orthogonally in the consecutive lattice planes, has been investigated using first-principles calculations. Microscopic magnetic exchange interactions and Wannier function analysis reveals the quasi-two-dimensional antiferromagnetic ground state with moderate mean-field transition temperature, in spite of the absence of long-range structural connectivity via ${mathrm{IrO}}_{4}$ moieties. Further magnetic interactions pointed out possible canting of the Ir spins in a complex manner, due to the orthogonally oriented ${mathrm{IrO}}_{4}$ planes. The estimated magnetocrystalline anisotropy is significantly large, which is further accentuated by Os doping due to the modification of the electronic configurations and electronic structure of the valence and conduction bands. The phonon modes analysis confirms very weak spin-phonon coupling and reveals the possible mechanism for the evolution of orthogonally oriented ${mathrm{IrO}}_{4}$ moieties. The energetics of the muon active sites has been identified to guide the experimental measurements." @default.
• W4387408730 created "2023-10-07" @default.
• W4387408730 creator A5033794511 @default.
• W4387408730 creator A5035427154 @default.
• W4387408730 date "2023-10-06" @default.
• W4387408730 modified "2023-10-08" @default.
• W4387408730 title "Quasi-two-dimensional antiferromagnetism with large magnetocrystalline anisotropy in the half-filled square-planar iridate <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:msub><mml:mi mathvariant=normal>Cs</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant=normal>Na</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant=normal>IrO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>" @default.
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• W4387408730 doi "https://doi.org/10.1103/physrevb.108.155110" @default.
• W4387408730 hasPublicationYear "2023" @default.
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