Calculations of the electronic structure of gold monolayers with linear defects based on Density Functional Theory (DFT). Study of monolayers of gold using a scanning tunneling microscope

• Дата: 2025
• Автори: Romansky Anastas, Karbivskyy Volodymyr
• Інші автори: Svitlana Smolyak
• Формат: Data
• Мова: English
• Опубліковано: DataverseUA 2025
• Теми: Physics; Electronic structure; Density functional theory; Monolayers; Nanostructures; Scanning tunnelling microscopy
• Онлайн доступ: https://doi.org/10.48788/DVUA/VQDIBE
• Назва журналу: Open Data Repository of the National Academy of Sciences of Ukraine

Within the framework of the density functional theory, the features of the electronic structure of gold monolayers are investigated. Changes in the electronic states of slabs are investigated depending on the number of monolayers and the concentration of defects. The tendencies in the formation of the total density of electronic states curve during the transformation from a monolayer to a bulk sample for gold are of a similar character. Monolayer nanostructures of gold were studied experimentally on the silicon surfaces (111) and (110) by tunneling microscopy and spectroscopy using a high-vacuum tunneling spectrometer with atomic resolution JSPM-4610 (JEOL, Japan)