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- W2793306722 abstract "Interplay of spin-orbit coupling and vibronic coupling on heavy $d^1$ site of cubic double perovskites is investigated by ab initio calculations. The stabilization energy of spin-orbital-lattice entangled states is found comparable to or larger than the exchange interactions, suggesting the presence of Jahn-Teller dynamics in the systems. In Ba$_2$YMoO$_6$, the pseudo JT coupling enhances the mixing of the ground and excited spin-orbit multiplet states, which results in strong temperature dependence of effective magnetic moments. The entanglement of the spin and lattice degrees of freedom induces a strong magneto-elastic response. This multiferroic effect is at the origin of the recently reported breaking of local point symmetry accompanying the development of magnetic ordering in Ba$_2$NaOsO$_6$." @default.
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- W2793306722 date "2018-08-21" @default.
- W2793306722 modified "2023-09-29" @default.
- W2793306722 title "Spin-orbital-lattice entangled states in cubic <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:msup><mml:mi>d</mml:mi><mml:mn>1</mml:mn></mml:msup></mml:math> double perovskites" @default.
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- W2793306722 doi "https://doi.org/10.1103/physrevb.98.075138" @default.
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