Magnetic susceptibility of insulators from first principles

Physics – Condensed Matter – Materials Science

Scientific paper

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Revtex, to appear in Physical Review Letter

Scientific paper

10.1103/PhysRevLett.76.4246

We present an {\it ab initio} approach for the computation of the magnetic
susceptibility $\chi$ of insulators. The approach is applied to compute $\chi$
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 $\chi$ upon pressure.

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