加载中…
We present a new method of ab-initio electronic-structure calculation including the spin-fluctuation (SF) self-consistently. We start from the Luttinger-Ward functional given as the sum of the LDA functional plus the temperature-dependent part of the SF energy functional. The size of interactions used in it are determined in a similar manner to the self-consistent renormalization theory by Moriya and Kawabata. Obtained paramagnetic susceptibilities on Pd, Ni, Fe, and fcc-Co above show rather good agreements with experiments.

生成讲解博客的中文版本

生成AI智能校验的中文版本