Amorphous metals: properties, preparation and application

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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

Статья научная