Ab initio studies of magnetism and topology in solid Pd-rich $${\varvec{a}}$$ a -PdSi alloys
Abstract In 1965 Duwez et al. reported having generated an amorphous, stable phase of palladium-silicon in the region 15 to 23 atomic percent, at.%, silicon. These pioneering efforts have led to the development of solid materials that are now known as Bulk Metallic Glasses, BMG. In 2019 Rodríguez et...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2022-03-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-022-08656-5 |
| _version_ | 1818320966739034112 |
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| author | Isaías Rodríguez Renela M. Valladares Alexander Valladares David Hinojosa-Romero Ariel A. Valladares |
| author_facet | Isaías Rodríguez Renela M. Valladares Alexander Valladares David Hinojosa-Romero Ariel A. Valladares |
| author_sort | Isaías Rodríguez |
| collection | DOAJ |
| description | Abstract In 1965 Duwez et al. reported having generated an amorphous, stable phase of palladium-silicon in the region 15 to 23 atomic percent, at.%, silicon. These pioneering efforts have led to the development of solid materials that are now known as Bulk Metallic Glasses, BMG. In 2019 Rodríguez et al. discovered, computationally, that bulk amorphous Pd becomes magnetic, and so does porous/amorphous Pd. Puzzled by these results, the study of several solid binary systems in the Pd-rich zone was undertaken; in particular, the study of the glassy metallic alloy a-Pd $$_{100-c}$$ 100 - c Si $$_{c}$$ c , for $$0 \le c \le 22$$ 0 ≤ c ≤ 22 , (c in at.%) to see what their topology is, what their electronic properties are and to inquire about their magnetism. In this work it is shown that this metallic glass is in fact magnetic in the region $$0 \le c < 15$$ 0 ≤ c < 15 . Collaterally $$\alpha$$ α and $$\beta$$ β magnetization curves are shown where the net magnetic moment is presented. The topology and the position of the first few peaks of the pair distribution functions, which agrees well with experiment, are also discussed. The BMGs produced experimentally so far are limited in size, but despite this limitation, recent industrial efforts have developed some useful devices that may revolutionize technology. |
| first_indexed | 2024-12-13T10:33:24Z |
| format | Article |
| id | doaj.art-2c1814c5248f49d084440b3a28b17567 |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-12-13T10:33:24Z |
| publishDate | 2022-03-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-2c1814c5248f49d084440b3a28b175672022-12-21T23:50:46ZengNature PortfolioScientific Reports2045-23222022-03-0112111010.1038/s41598-022-08656-5Ab initio studies of magnetism and topology in solid Pd-rich $${\varvec{a}}$$ a -PdSi alloysIsaías Rodríguez0Renela M. Valladares1Alexander Valladares2David Hinojosa-Romero3Ariel A. Valladares4Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de MéxicoFacultad de Ciencias, Universidad Nacional Autónoma de MéxicoFacultad de Ciencias, Universidad Nacional Autónoma de MéxicoInstituto de Investigaciones en Materiales, Universidad Nacional Autónoma de MéxicoInstituto de Investigaciones en Materiales, Universidad Nacional Autónoma de MéxicoAbstract In 1965 Duwez et al. reported having generated an amorphous, stable phase of palladium-silicon in the region 15 to 23 atomic percent, at.%, silicon. These pioneering efforts have led to the development of solid materials that are now known as Bulk Metallic Glasses, BMG. In 2019 Rodríguez et al. discovered, computationally, that bulk amorphous Pd becomes magnetic, and so does porous/amorphous Pd. Puzzled by these results, the study of several solid binary systems in the Pd-rich zone was undertaken; in particular, the study of the glassy metallic alloy a-Pd $$_{100-c}$$ 100 - c Si $$_{c}$$ c , for $$0 \le c \le 22$$ 0 ≤ c ≤ 22 , (c in at.%) to see what their topology is, what their electronic properties are and to inquire about their magnetism. In this work it is shown that this metallic glass is in fact magnetic in the region $$0 \le c < 15$$ 0 ≤ c < 15 . Collaterally $$\alpha$$ α and $$\beta$$ β magnetization curves are shown where the net magnetic moment is presented. The topology and the position of the first few peaks of the pair distribution functions, which agrees well with experiment, are also discussed. The BMGs produced experimentally so far are limited in size, but despite this limitation, recent industrial efforts have developed some useful devices that may revolutionize technology.https://doi.org/10.1038/s41598-022-08656-5 |
| spellingShingle | Isaías Rodríguez Renela M. Valladares Alexander Valladares David Hinojosa-Romero Ariel A. Valladares Ab initio studies of magnetism and topology in solid Pd-rich $${\varvec{a}}$$ a -PdSi alloys Scientific Reports |
| title | Ab initio studies of magnetism and topology in solid Pd-rich $${\varvec{a}}$$ a -PdSi alloys |
| title_full | Ab initio studies of magnetism and topology in solid Pd-rich $${\varvec{a}}$$ a -PdSi alloys |
| title_fullStr | Ab initio studies of magnetism and topology in solid Pd-rich $${\varvec{a}}$$ a -PdSi alloys |
| title_full_unstemmed | Ab initio studies of magnetism and topology in solid Pd-rich $${\varvec{a}}$$ a -PdSi alloys |
| title_short | Ab initio studies of magnetism and topology in solid Pd-rich $${\varvec{a}}$$ a -PdSi alloys |
| title_sort | ab initio studies of magnetism and topology in solid pd rich varvec a a pdsi alloys |
| url | https://doi.org/10.1038/s41598-022-08656-5 |
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