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Title: Electronic properties of phosphorene with vacancies: ab initio study
Authors: Skachkova, V.
Keywords: материалы конференций
point defects
density functional theory
Issue Date: 2017
Publisher: БГУИР
Citation: Skachkova, V. Electronic properties of phosphorene with vacancies: ab initio study / V. Skachkova // Nano-design, technology, computer simulations : proceedings of 17th International workshop on new approaches to high –tech (26-27 October, 2017). – Minsk : BSUIR, 2017. – С. 195 - 197.
Abstract: Vacancy influence on phosphorene electronic properties was investigated using Density Functional Theory for structures with one, two and three vacancies. It's shown that divacancy has the minimal formation energy. One and three vacancies lead to magnetic moment emergence on dangling bonds.
Appears in Collections:NDTCS 2017

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