Amorphous metals: properties, preparation and application
Автор: Panchenko A.N.
Журнал: Международный журнал гуманитарных и естественных наук @intjournal
Рубрика: Химические науки
Статья в выпуске: 6-4 (81), 2023 года.
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This article discusses the main properties, methods of production and applications of amorphous metals. The possibility of obtaining an amorphous metal based on a polymer matrix and additives as boron atoms is shown using quantum chemical calculations by the DFT functional B3LYP. Calculations of optimization of geometry, binding energy, band gap width, single-electron spectra, state density are presented.
Метод dft
Короткий адрес: https://sciup.org/170199633
IDR: 170199633 | DOI: 10.24412/2500-1000-2023-6-4-120-123