This article is cited in 2 papers

Metals

Electronic states of nanostructured systems: titanium and zirconia

V. G. Zavodinskу

Institute for Material Studies, Khabarovsk Division, Far-Eastern Branch of the Russian Academy of Sciences, Khabarovsk

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 ZrO$_2$, supposedly because of incomplete saturation of ionic bonds.

Received: 22.03.2018
Revised: 30.03.2018

DOI: 10.21883/FTT.2018.10.46509.076

 English version: Physics of the Solid State, 2018, 60:10, 1903–1907

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