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• W2771814372 abstract "Single-crystal x-ray diffraction studies with synchrotron radiation on the honeycomb iridate $alpha$-Li$_{2}$IrO$_{3}$ reveal a pressure-induced structural phase transition with symmetry lowering from monoclinic to triclinic at a critical pressure of $P_{c}$ = 3.8 GPa. According to the evolution of the lattice parameters with pressure, the transition mainly affects the $ab$ plane and thereby the Ir hexagon network, leading to the formation of Ir--Ir dimers. These observations are independently predicted and corroborated by our textit{ab initio} density functional theory calculations where we find that the appearance of Ir--Ir dimers at finite pressure is a consequence of a subtle interplay between magnetism, correlation, spin-orbit coupling, and covalent bonding. Our results further suggest that at $P_{c}$ the system undergoes a magnetic collapse. Finally we provide a general picture of competing interactions for the honeycomb lattices $A_{2}$$M$O$_{3}$ with $A$= Li, Na and $M$ = Ir, Ru." @default.
• W2771814372 created "2017-12-22" @default.
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• W2771814372 date "2018-01-31" @default.
• W2771814372 modified "2023-10-12" @default.
• W2771814372 title "Competition between spin-orbit coupling, magnetism, and dimerization in the honeycomb iridates: <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:mi>α</mml:mi><mml:mo>−</mml:mo><mml:msub><mml:mi>Li</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>IrO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math> under pressure" @default.
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• W2771814372 doi "https://doi.org/10.1103/physrevb.97.020104" @default.
• W2771814372 hasPublicationYear "2018" @default.
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