Abstract:
The density functional method with pseudopotentials are used to study the electron states of nanoparticles and nanostructured systems: chains, films, and three-dimensional nanosystems of titanium and zirconia. It is shown that all studied titanium nanosystems have the density of electronic states (DES) of the metallic type, but zirconia nanosystem demonstrates a dielectric energy gap in the vicinity of the Fermi level. The density of states of nanostructured titanium is close in shape to DES of the single crystal but has a smoother shape due to disordering of the atomic arrangement. The forbidden band width of the nanostructured zirconia is smaller as compared to the corresponding width in crystalline ZrO2, supposedly because of incomplete saturation of ionic bonds.
Citation:
V. G. Zavodinskу, “Electronic states of nanostructured systems: titanium and zirconia”, Fizika Tverdogo Tela, 60:10 (2018), 1861–1865; Phys. Solid State, 60:10 (2018), 1903–1907
\Bibitem{Zav18}
\by V.~G.~Zavodinskу
\paper Electronic states of nanostructured systems: titanium and zirconia
\jour Fizika Tverdogo Tela
\yr 2018
\vol 60
\issue 10
\pages 1861--1865
\mathnet{http://mi.mathnet.ru/ftt9030}
\crossref{https://doi.org/10.21883/FTT.2018.10.46509.076}
\elib{https://elibrary.ru/item.asp?id=36903712}
\transl
\jour Phys. Solid State
\yr 2018
\vol 60
\issue 10
\pages 1903--1907
\crossref{https://doi.org/10.1134/S1063783418100323}
Linking options:
https://www.mathnet.ru/eng/ftt9030
https://www.mathnet.ru/eng/ftt/v60/i10/p1861
This publication is cited in the following 2 articles:
B. Mokritskii, A. Morozova, E. J. Sitamov, Lecture Notes in Mechanical Engineering, Proceedings of the 6th International Conference on Industrial Engineering (ICIE 2020), 2021, 156
Federico Paolucci, Giorgio De Simoni, Paolo Solinas, Elia Strambini, Nadia Ligato, Pauli Virtanen, Alessandro Braggio, Francesco Giazotto, “Magnetotransport Experiments on Fully Metallic Superconducting Dayem-Bridge Field-Effect Transistors”, Phys. Rev. Applied, 11:2 (2019)