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APS » Journals » Phys. Rev. Lett. » Volume 76 » Issue 22
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Phys. Rev. Lett. 76, 4246–4249 (1996)

Magnetic Susceptibility of Insulators from First Principles

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Francesco Mauri and Steven G. Louie
Department of Physics, University of California at Berkeley, Berkeley, California 94720
and Materials Science Division, Lawrence Berkeley Laboratory, Berkeley, California 94720

Received 23 January 1996; published in the issue dated 27 May 1996

We present an 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.

© 1996 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.76.4246
DOI:
10.1103/PhysRevLett.76.4246
PACS:
75.20.-g, 71.15.Mb
 
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