First principles calculation of the electronic pressure: application to transition metals, semiconductors and cerium.

Gloetzel D.

Max-Planck-Inst. Festkoerperforsch., Stuttgart , D-7000, Fed. Rep. Ger.

The topics reviewed with 41 refs. include: the (linear muffin-tin orbital)-(at. sphere approxn.) method in calcns. of the electronic pressure [Pel]; Pel in calcns. of the energy bands, bulk moduli, partial electron-angular-momentum pressures, and pressure deriv. of the satn. magnetization of transition metals; Pe in calcns. of the cohesive energy [Ecoh] of semiconductors (Si, Ge, diamond); and Pel and Ecoh calcns. in relation to .gamma.-.alpha. transition in Ce at high pressure.

Phys. Solids High Pressure, Proc. Int. Symp..

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