Počet záznamů: 1
Profiles of oxygen and titanium point defects in ferromagnetic TiO2 films
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SYSNO ASEP 0584888 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Profiles of oxygen and titanium point defects in ferromagnetic TiO2 films Tvůrce(i) Nhu, T. Q. (CZ)
Friák, Martin (UFM-A) RID, ORCID
Miháliková, Ivana (UFM-A) ORCID
Kiaba, M. (CZ)
Hong, N. H. (CZ)Celkový počet autorů 5 Číslo článku 265302 Zdroj.dok. Journal of Physics D-Applied Physics. - : Institute of Physics Publishing - ISSN 0022-3727
Roč. 57, č. 26 (2024)Poč.str. 8 s. Jazyk dok. eng - angličtina Země vyd. GB - Velká Británie Klíč. slova vacancies ; defects ; ferromagnetic ; DMSO ; spintronics Vědní obor RIV BM - Fyzika pevných látek a magnetismus Obor OECD Condensed matter physics (including formerly solid state physics, supercond.) Výzkumná infrastruktura CzechNanoLab - 90110 - Vysoké učení technické v Brně Způsob publikování Open access Institucionální podpora UFM-A - RVO:68081723 UT WOS 001196338000001 EID SCOPUS 85189824930 DOI 10.1088/1361-6463/ad3767 Anotace Experimentally it is shown that without any oxygen manipulation for TiO2, a strong room
temperature ferromagnetism could be expected only in ultra-thin films, with the ideal thickness
below 100 nm. Both bulks and nano-powders of TiO2 are diamagnetic, indicating that the
surface and its nano-sublayers play very important roles in tailoring the magnetic properties in
this type of compound. To shed a new light on the defect-related magnetism in the typical case
of anatase TiO2 surfaces, we have performed a series of quantum-mechanical calculations for
TiO2 slabs containing Ti or O vacancies in different distances from the (001) surface. The
lowest formation energies were obtained for the Ti vacancies in the first sub-surface layer and
the O vacancies within the surface. The computed magnetic states reflect complicated structural
relaxations of atoms influenced by both the surface and vacant atomic positions. O atoms cannot
contribute much to magnetic moment when Ti vacancies are isolated and far from the surface.
Ti vacancies in TiO2 are only metastable. The formation energy of Ti interstitials is lower than
for Ti vacancies since high-temperature annealing, especially with a lot of O2 available that
would fill up O-related defects, and as a result, eliminate most of Ti vacancies. Lower
temperatures, less O2, and shorter exposure times may enable not only partial elimination of Ti
vacancies but also can facilitate their diffusion into different states of aggregations. In the
ferromagnetic films (i.e. thin films below 100 nm), it looks like that the O atoms are located
closer to the Ti vacancies.Pracoviště Ústav fyziky materiálu Kontakt Yvonna Šrámková, sramkova@ipm.cz, Tel.: 532 290 485 Rok sběru 2025 Elektronická adresa https://iopscience.iop.org/article/10.1088/1361-6463/ad3767
Počet záznamů: 1