High-throughput evaluation of half-metallicity of Co2MnSi Heusler alloys using composition-spread films and spin-integrated hard X-ray photoelectron spectroscopy

We demonstrate high-throughput evaluation of the half-metallicity of Co2MnSi Heusler alloys by spin-integrated hard X-ray photoelectron spectroscopy (HAXPES) of composition-spread films performed with high-brilliance synchrotron radiation at NanoTerasu, which identifies the optimum composition showi...

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Main Authors: Ryo Toyama, Shunsuke Tsuda, Yuma Iwasaki, Thang Dinh Phan, Susumu Yamamoto, Hiroyuki Yamane, Koichiro Yaji, Yuya Sakuraba
Format: Article
Language:English
Published: Taylor & Francis Group 2025-12-01
Series:Science and Technology of Advanced Materials
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Online Access:https://www.tandfonline.com/doi/10.1080/14686996.2024.2439781
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author Ryo Toyama
Shunsuke Tsuda
Yuma Iwasaki
Thang Dinh Phan
Susumu Yamamoto
Hiroyuki Yamane
Koichiro Yaji
Yuya Sakuraba
author_facet Ryo Toyama
Shunsuke Tsuda
Yuma Iwasaki
Thang Dinh Phan
Susumu Yamamoto
Hiroyuki Yamane
Koichiro Yaji
Yuya Sakuraba
author_sort Ryo Toyama
collection DOAJ
description We demonstrate high-throughput evaluation of the half-metallicity of Co2MnSi Heusler alloys by spin-integrated hard X-ray photoelectron spectroscopy (HAXPES) of composition-spread films performed with high-brilliance synchrotron radiation at NanoTerasu, which identifies the optimum composition showing the best half-metallicity. Co75–xMnxSi25 composition-spread thin films for x = 10–40% with a thickness of 30 nm are fabricated on MgO(100) substrates using combinatorial sputtering technique. The L21-ordering and (001)-oriented epitaxial growth of Co2MnSi are confirmed by X-ray diffraction for x = 18–40%. The valence band HAXPES spectra exhibit a systematic compositional dependence and the smallest photoemission intensity at the Fermi level (EF) for a slightly Mn-rich composition of x = 27%. The density of states (DOS) for L21-ordered Co2MnSi with different Mn compositions obtained from first-principles calculation also show the smallest total DOS at EF for x = 27% because of the formation of a clear half-metallic gap in the minority spin channel and the less localized d-states in the majority spin channel, indicating the best half-metallic nature of this composition. Our experimental results demonstrate that high-throughput evaluation of half-metallicity is possible even with spin-integrated HAXPES by capturing systematic changes in the electronic structures through the measurements on the composition-spread film. Moreover, the anisotropic magnetoresistance (AMR) of the composition-spread film is measured for electric current directions along the [110] and [100] of Co2MnSi. Previous studies indicated that a larger negative AMR ratio is a signature of a higher spin polarization. The largest negative AMR ratio is observed for x = 27% for both current directions, which also supports the best half-metallicity for this off-stoichiometric composition.
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spelling doaj-art-75714b2dd93b43eb8e3624bd8da6796c2025-01-08T00:00:24ZengTaylor & Francis GroupScience and Technology of Advanced Materials1468-69961878-55142025-12-0126110.1080/14686996.2024.2439781High-throughput evaluation of half-metallicity of Co2MnSi Heusler alloys using composition-spread films and spin-integrated hard X-ray photoelectron spectroscopyRyo Toyama0Shunsuke Tsuda1Yuma Iwasaki2Thang Dinh Phan3Susumu Yamamoto4Hiroyuki Yamane5Koichiro Yaji6Yuya Sakuraba7Magnetic Functional Device Group, Research Center for Magnetic and Spintronic Materials (CMSM), National Institute for Materials Science (NIMS), Tsukuba, JapanPhotoemission Spectroscopy Group, Center for Basic Research on Materials (CBRM), National Institute for Materials Science (NIMS), Tsukuba, Ibaraki, JapanData-driven Materials Design Group, Center for Basic Research on Materials (CBRM), National Institute for Materials Science (NIMS), Tsukuba, JapanPhotoemission Spectroscopy Group, Center for Basic Research on Materials (CBRM), National Institute for Materials Science (NIMS), Tsukuba, Ibaraki, JapanInternational Center for Synchrotron Radiation Innovation Smart (SRIS), Tohoku University, Sendai, JapanPhoton Science Innovation Center (PhoSIC), NanoTerasu, Aramaki-aza-Aoba, Sendai, JapanPhotoemission Spectroscopy Group, Center for Basic Research on Materials (CBRM), National Institute for Materials Science (NIMS), Tsukuba, Ibaraki, JapanMagnetic Functional Device Group, Research Center for Magnetic and Spintronic Materials (CMSM), National Institute for Materials Science (NIMS), Tsukuba, JapanWe demonstrate high-throughput evaluation of the half-metallicity of Co2MnSi Heusler alloys by spin-integrated hard X-ray photoelectron spectroscopy (HAXPES) of composition-spread films performed with high-brilliance synchrotron radiation at NanoTerasu, which identifies the optimum composition showing the best half-metallicity. Co75–xMnxSi25 composition-spread thin films for x = 10–40% with a thickness of 30 nm are fabricated on MgO(100) substrates using combinatorial sputtering technique. The L21-ordering and (001)-oriented epitaxial growth of Co2MnSi are confirmed by X-ray diffraction for x = 18–40%. The valence band HAXPES spectra exhibit a systematic compositional dependence and the smallest photoemission intensity at the Fermi level (EF) for a slightly Mn-rich composition of x = 27%. The density of states (DOS) for L21-ordered Co2MnSi with different Mn compositions obtained from first-principles calculation also show the smallest total DOS at EF for x = 27% because of the formation of a clear half-metallic gap in the minority spin channel and the less localized d-states in the majority spin channel, indicating the best half-metallic nature of this composition. Our experimental results demonstrate that high-throughput evaluation of half-metallicity is possible even with spin-integrated HAXPES by capturing systematic changes in the electronic structures through the measurements on the composition-spread film. Moreover, the anisotropic magnetoresistance (AMR) of the composition-spread film is measured for electric current directions along the [110] and [100] of Co2MnSi. Previous studies indicated that a larger negative AMR ratio is a signature of a higher spin polarization. The largest negative AMR ratio is observed for x = 27% for both current directions, which also supports the best half-metallicity for this off-stoichiometric composition.https://www.tandfonline.com/doi/10.1080/14686996.2024.2439781Heusler alloyshalf-metallicityCo2MnSicomposition-spread filmshard X-ray photoelectron spectroscopydensity of states
spellingShingle Ryo Toyama
Shunsuke Tsuda
Yuma Iwasaki
Thang Dinh Phan
Susumu Yamamoto
Hiroyuki Yamane
Koichiro Yaji
Yuya Sakuraba
High-throughput evaluation of half-metallicity of Co2MnSi Heusler alloys using composition-spread films and spin-integrated hard X-ray photoelectron spectroscopy
Science and Technology of Advanced Materials
Heusler alloys
half-metallicity
Co2MnSi
composition-spread films
hard X-ray photoelectron spectroscopy
density of states
title High-throughput evaluation of half-metallicity of Co2MnSi Heusler alloys using composition-spread films and spin-integrated hard X-ray photoelectron spectroscopy
title_full High-throughput evaluation of half-metallicity of Co2MnSi Heusler alloys using composition-spread films and spin-integrated hard X-ray photoelectron spectroscopy
title_fullStr High-throughput evaluation of half-metallicity of Co2MnSi Heusler alloys using composition-spread films and spin-integrated hard X-ray photoelectron spectroscopy
title_full_unstemmed High-throughput evaluation of half-metallicity of Co2MnSi Heusler alloys using composition-spread films and spin-integrated hard X-ray photoelectron spectroscopy
title_short High-throughput evaluation of half-metallicity of Co2MnSi Heusler alloys using composition-spread films and spin-integrated hard X-ray photoelectron spectroscopy
title_sort high throughput evaluation of half metallicity of co2mnsi heusler alloys using composition spread films and spin integrated hard x ray photoelectron spectroscopy
topic Heusler alloys
half-metallicity
Co2MnSi
composition-spread films
hard X-ray photoelectron spectroscopy
density of states
url https://www.tandfonline.com/doi/10.1080/14686996.2024.2439781
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