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Article Dans Une Revue Scientific Reports Année : 2022

Crucial role of oxygen on the bulk and surface electronic properties of stable β phase of tungsten

Résumé

The A15 β phase of tungsten has recently attracted great interest for spintronic applications due to the finding of giant spin-Hall effect. As β phase is stabilized by oxygen, we have studied the electronic structure of O-doped β-W from first principles calculations. It is found that 20 at.% O-doping makes β phase lower in energy than α-W. These results are in good agreement with energy dispersive X-ray spectroscopy which also shows ~ 16.84 at.% O in 60 nm thick W films. The latter has predominantly β phase as confirmed by grazing incidence X-ray diffraction (XRD). The simulated XRD of bulk β having 15.79 at.% O also agrees with XRD results. Oxygen binds strongly on the surface and affects the Dirac fermion behavior in pure β-W. There is structural disorder, O-inhomogeneity, and higher density-of-states in O-doped β-W at E F compared with pure α. These results are promising to understand the properties of β-W.
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Dates et versions

hal-03854549 , version 1 (15-11-2022)

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Ananya Chattaraj, Sebastien Joulie, Virginie Serin, Alain Claverie, Vijay Kumar, et al.. Crucial role of oxygen on the bulk and surface electronic properties of stable β phase of tungsten. Scientific Reports, 2022, 12 (1), pp.3865. ⟨10.1038/s41598-022-07658-7⟩. ⟨hal-03854549⟩
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