Abstract
We present a method for calculating accurate Brillouin zone integrals of the Lindhard function at temperatures other than absolute zero. Within the linear tetrahedron method our expression is exact for the imaginary part and accurate to any arbitrary precision for the real part. We apply our method to calculate the temperature-dependent contribution to the bulk susceptibility for a range of transition metals as a function of temperature using linear muffin-tin orbital (LMTO) bands. For paramagnets our results follow the expected dependence. However our results for ferromagnets deviate qualitatively from the quadratic law. The different behavior is attributed to interband and matrix element effects. Our results for Fe exhibit two distinct behaviors. We discuss the implications for calculation of anomalies arising from spin fluctuations. © 1996 The American Physical Society.
- Received 5 September 1995
DOI:https://doi.org/10.1103/PhysRevB.53.2606
©1996 American Physical Society