Tootfinder

Effects of Antisite Defects on Seebeck Coefficient in Fe_2VAl -- Analyses based on Bipolar Random Anderson Model
Takami Tohyama, Hidetoshi Fukuyama
https://arxiv.org/abs/2507.00497

Effects of Antisite Defects on Seebeck Coefficient in Fe_2VAl -- Analyses based on Bipolar Random Anderson Model
A microscopic mechanism is proposed for a dramatic sign change of the Seebeck coefficient from positive to negative sign by the introduction of antisite defects in Fe$_2$VAl based on bipolar random Anderson model (BPRAM), which incorporates hybridization effects between randomly distributed antisites and host bands, where the valence and conduction bands are treated separately due to their separation in momentum space. Applying a self-consistent T-matrix approximation, we find that antisite def…