https://www.elibrary.ru/title_about_new.asp?i Materials physics and mechanics Механика и физика материалов 1605-8119 6 10.18720/MPM.3912018_6 Electronic properties of phosphorene with vacancies: ab initio study Electronic properties of phosphorene with vacancies: ab initio study Skachkova Belarusian State University of Informatics and Radioelectronics 03 08 2018 39 1 35 42

Vacancy influences on phosphorene electronic properties were 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.

 density functional theory electronic property phosphorene vacancy