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• W2549228045 abstract "Using Wannier functions to represent the density functional results we calculate the hybridization corrections to the orbital momentum operator in the Os $5d$ shell of the Mott insulators ${mathrm{Ba}}_{2}{mathrm{NaOsO}}_{6}$ and ${mathrm{Ba}}_{2}{mathrm{YOsO}}_{6}$. The $g$-factors are obtained by evaluating the spin and orbital momentum operators in the atomic ground states of the Os ion. While the hybridization corrections play a minor role in the ${d}^{3}$ ion of ${mathrm{Ba}}_{2}{mathrm{YOsO}}_{6}$ with a dominant spin moment, they are instrumental for the observation of the nonzero $g$-factor of the ${d}^{1}$ ions of ${mathrm{Ba}}_{2}{mathrm{NaOsO}}_{6}$. In addition, we analyze the exchange interactions in ${mathrm{Ba}}_{2}{mathrm{YOsO}}_{6}$ and find them to be consistent with the reported magnetic structure." @default.
• W2549228045 created "2016-11-30" @default.
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• W2549228045 date "2017-02-16" @default.
• W2549228045 modified "2023-09-23" @default.
• W2549228045 title "Calculated <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mi>g</mml:mi></mml:math> -factors of <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:mn>5</mml:mn><mml:mi>d</mml:mi></mml:mrow></mml:math> double perovskites <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:msub><mml:mi>Ba</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>NaOsO</mml:mi><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math> and <mml:math xmlns:mml=http://www…" @default.
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• W2549228045 doi "https://doi.org/10.1103/physrevb.95.064416" @default.
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