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Automated mixing of maximally localized Wannier functions into target manifolds
Junfeng Qiao, Giovanni Pizzi, Nicola Marzari
Maximally localized Wannier functions (MLWFs) are widely used to construct first-principles tight-binding models that accurately reproduce the electronic structure of materials. Re…
Projectability disentanglement for accurate and automated electronic-structure Hamiltonians
Junfeng Qiao, Giovanni Pizzi, Nicola Marzari
Maximally-localized Wannier functions (MLWFs) are a powerful and broadly used tool to characterize the electronic structure of materials, from chemical bonding to dielectric respon…
Large influence of capping layers on tunnel magnetoresistance in magnetic tunnel junctions
Jiaqi Zhou, Weisheng Zhao, Yin Wang +8
It has been reported in experiments that capping layers which enhance the perpendicular magnetic anisotropy (PMA) of magnetic tunnel junctions (MTJs) induce great impact on the tun…