Cargando…
Crucial role of oxygen on the bulk and surface electronic properties of stable β phase of tungsten
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-dopin...
Autores principales: | , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8907277/ https://www.ncbi.nlm.nih.gov/pubmed/35264628 http://dx.doi.org/10.1038/s41598-022-07658-7 |
_version_ | 1784665605017698304 |
---|---|
author | Chattaraj, Ananya Joulie, Sebastien Serin, Virginie Claverie, Alain Kumar, Vijay Kanjilal, Aloke |
author_facet | Chattaraj, Ananya Joulie, Sebastien Serin, Virginie Claverie, Alain Kumar, Vijay Kanjilal, Aloke |
author_sort | Chattaraj, Ananya |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-8907277 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-89072772022-03-11 Crucial role of oxygen on the bulk and surface electronic properties of stable β phase of tungsten Chattaraj, Ananya Joulie, Sebastien Serin, Virginie Claverie, Alain Kumar, Vijay Kanjilal, Aloke Sci Rep Article 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. Nature Publishing Group UK 2022-03-09 /pmc/articles/PMC8907277/ /pubmed/35264628 http://dx.doi.org/10.1038/s41598-022-07658-7 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . |
spellingShingle | Article Chattaraj, Ananya Joulie, Sebastien Serin, Virginie Claverie, Alain Kumar, Vijay Kanjilal, Aloke Crucial role of oxygen on the bulk and surface electronic properties of stable β phase of tungsten |
title | Crucial role of oxygen on the bulk and surface electronic properties of stable β phase of tungsten |
title_full | Crucial role of oxygen on the bulk and surface electronic properties of stable β phase of tungsten |
title_fullStr | Crucial role of oxygen on the bulk and surface electronic properties of stable β phase of tungsten |
title_full_unstemmed | Crucial role of oxygen on the bulk and surface electronic properties of stable β phase of tungsten |
title_short | Crucial role of oxygen on the bulk and surface electronic properties of stable β phase of tungsten |
title_sort | crucial role of oxygen on the bulk and surface electronic properties of stable β phase of tungsten |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8907277/ https://www.ncbi.nlm.nih.gov/pubmed/35264628 http://dx.doi.org/10.1038/s41598-022-07658-7 |
work_keys_str_mv | AT chattarajananya crucialroleofoxygenonthebulkandsurfaceelectronicpropertiesofstablebphaseoftungsten AT jouliesebastien crucialroleofoxygenonthebulkandsurfaceelectronicpropertiesofstablebphaseoftungsten AT serinvirginie crucialroleofoxygenonthebulkandsurfaceelectronicpropertiesofstablebphaseoftungsten AT claveriealain crucialroleofoxygenonthebulkandsurfaceelectronicpropertiesofstablebphaseoftungsten AT kumarvijay crucialroleofoxygenonthebulkandsurfaceelectronicpropertiesofstablebphaseoftungsten AT kanjilalaloke crucialroleofoxygenonthebulkandsurfaceelectronicpropertiesofstablebphaseoftungsten |