Large Enhancement of Intrinsic Spin Hall Conductivity of β‐W Based Alloy

In this work, intrinsic spin Hall conductivity of β‐W and its alloy with V has been theoretically studied by the combination of ab initio method with the tight binding method. Both two possible configurations of V in β‐W structure are fully considered and their total energy difference used to estimate the thermodynamic average SHC of alloy by using Maxwell‐Boltzmann distribution. It is found that due to the small total energy difference between two configurations, there is a significant contribution to the thermodynamic average SHC of the alloy from both configurations, which results in the average SHC of alloy being enhanced up to 12.3% compared with the pristine β‐W.