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Magnetic susceptibility of insulators from first principles

Francesco Mauri·Steven G. Louie
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Abstract

We present an {\it ab initio} approach for the computation of the magnetic susceptibility $χ$ of insulators. The approach is applied to compute $χ$ in diamond and in solid neon using density functional theory in the local density approximation, obtaining good agreement with experimental data. In solid neon, we predict an observable dependence of $χ$ upon pressure.

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Francesco Mauri, Steven G. Louie. 1996-04-28. Magnetic susceptibility of insulators from first principles. https://doi.org/10.1103/physrevlett.76.4246

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