Vacancy-induced magnetism in TiO2 thin films

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F23%3A00133889" target="_blank" >RIV/00216224:14310/23:00133889 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Vacancy-induced magnetism in TiO2 thin films
Original language description
We present a combined experimental and theoretical study of surface-related magnetic states in TiO2. Our experiments performed on nano-sized thin films of pure TiO2 have suggested that the observed room-temperature magnetism originates from defects, particularly from the surface of thin films as well as from point defects, such as vacancies located mainly at the surface. To clarify this phenomenon, we performed quantum-mechanical density functional theory (DFT) calculations. Our fixed-spin-moment calculations identified both the bulk and the bulk-like TiO2-terminated vacancy-free (001) surfaces as non-magnetic. In contrast, oxygen vacancies in the TiO-terminated and TiO0.75-terminated (001) surfaces led to ferromagnetic and rather complex ferrimagnetic states, respectively. The spin-polarized atoms are the Ti atoms (due to the d-states) located in the surface and sub-surface atomic planes. Finally, the O-terminated surfaces are also magnetic due to the surface and sub-surface oxygen atoms and sub-surface Ti atoms (however, their surface energy is high). For further details, see Friák et al., Journal of Applied Physics 134, 013902 (2023), DOI: 10.1063/5.0155282.
Czech name
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Czech description
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Project
<a href="/en/project/GA22-21547S" target="_blank" >GA22-21547S: Origin of Room Temperature Ferromagnetism in Thin Films of Undoped d0 Semiconducting Oxides</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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