Self-consistent calculations of the Zeeman splitting in metals

Abstract

The electronic structure of metals in an external magnetic field has been investigated by means of a version of the linear-muffin-tin-orbital method, in which the magnetic field, exchange and correlation effects, and spin-orbit coupling have been included in the self-consistent iterations. The Zeeman splitting of cyclotron orbits has been calculated and compared to de Haas--van Alphen experiments for the alkali metals, the noble metals, and the platinum group metals. Also the paramagnetic susceptibilities have been calculated. Particular attention is paid to the importance of the orbital magnetic moment. A detailed treatment of palladium is included in order to evaluate the calculational method. Detailed comparisons with experimental data have been made wherever possible. In some cases the agreement between theory and experiment is very good. Possible reasons for lacking agreement are discussed and suggestions for improved theoretical procedures are made.