Concentration-Dependent Half Metallicity in Mo6SxI10-x Nanowires
| dc.contributor.author | Demiray, Ferhat | |
| dc.contributor.author | Berber, Savas | |
| dc.date.accessioned | 2025-10-29T11:20:26Z | |
| dc.date.issued | 2012 | |
| dc.department | Fakülteler, Temel Bilimler Fakültesi, Fizik Bölümü | |
| dc.description.abstract | We have investigated the structural and elect-onic properties of Mo6SxI10-x nanowires for 0 < x < 2 using density functional theory calculations. The optimum atomic structures and lattice constants are determined by sequential S substitution of the fully I decorated Mo6I10 nanowire. We find a good agreement with the experimental lattice constants. The nanowires with increasing sulfur content change from metallic to half-metallic, and finally to semiconductors for x = 2. The Mo6SxI10-x nanowires may find use in spintronics applications with their tunable magnetic and electronic properties. | |
| dc.description.sponsorship | The Scientific and Technological Research Council of Turkey (TUBITAK) [108T740] | |
| dc.description.sponsorship | We acknowledge financial support from The Scientific and Technological Research Council of Turkey (TUBITAK) under grant no. 108T740. | |
| dc.identifier.doi | 10.1021/jp309070s | |
| dc.identifier.endpage | 23837 | |
| dc.identifier.issn | 1932-7447 | |
| dc.identifier.issn | 1932-7455 | |
| dc.identifier.issue | 44 | |
| dc.identifier.scopus | 2-s2.0-84868674482 | |
| dc.identifier.scopusquality | Q1 | |
| dc.identifier.startpage | 23833 | |
| dc.identifier.uri | https://doi.org/10.1021/jp309070s | |
| dc.identifier.uri | https://hdl.handle.net/20.500.14854/8576 | |
| dc.identifier.volume | 116 | |
| dc.identifier.wos | WOS:000310769300079 | |
| dc.identifier.wosquality | Q1 | |
| dc.indekslendigikaynak | Web of Science | |
| dc.indekslendigikaynak | Scopus | |
| dc.language.iso | en | |
| dc.publisher | Amer Chemical Soc | |
| dc.relation.ispartof | Journal of Physical Chemistry C | |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | |
| dc.rights | info:eu-repo/semantics/closedAccess | |
| dc.snmz | KA_WOS_20251020 | |
| dc.title | Concentration-Dependent Half Metallicity in Mo6SxI10-x Nanowires | |
| dc.type | Article |
