Local Spin Density Theory for Ferro-and Antiferromagnetic Materials
نویسندگان
چکیده
The application of the density-functional theory in the local approximation to magnetic materials is discussed and illustrated by examples. The magnetic properties of the 3d elemental metals as well a s their cohesive properties are described by means of self-consistent local-spin-density (LSD) calculations and by using the LSD-Stoner method. The application of the LSD approximation to narrow-band compounds (3d-monoxides) and to lanthanum cuprate indicates that correlation effects beyond those included in the LSDA must be added in order to obtain a realistic description of the ground state. The LSDA fails in predicting the antiferromagnetic ground state of La&u04.
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