AB INITIO calculations of the imaginary part of the complex dielectric constant of titanium oxide nanoparticles
Автор: Aleksandrov Yu.M., Yatsyshen V.V.
Журнал: НБИ технологии @nbi-technologies
Рубрика: Технические инновации
Статья в выпуске: 6, 2012 года.
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The calculations of the imaginary part of complex dielectric constant of TiO2n (n = 1-3) nanoparticles is produced by the first principles. Using the SIESTA program, the simulating of the interaction of light with clusters is carried out. The data obtained is compared with the value for bulk titanium oxide.
Ab initio, dft, siesta, nanoparticles, titanium oxide, dielectric constant, pseudopotential, аb initio
Короткий адрес: https://sciup.org/14968217
IDR: 14968217
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