Longitudinal spin fluctuations
Theoretical prediction of materials properties at elevated temperatures is an attractive but also ambitious work. In paramagnetic metals, spin fluctuations make the problem even more difficult due to the complicated interplay between thermal, magnetic and elastic effects. My research focus on the impact of longitudinal thermal spin fluctuations on the temperature dependence of elastic constants, lattice expansion and stack fault energy of paramagnetic Fe and its alloys. We proposed a simple, feasible and accurate ab initio scheme, which can easily be extended to study the thermal spin fluctuations in multi-component paramagnetic alloys.