کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7933158 | 1512846 | 2018 | 19 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structural and electronic properties of point defects in Haeckelite GaN monolayer
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
First-principles calculations are carried out to investigate the physical properties of Haeckelite gallium nitride monolayer with point defects, including three vacancies and three antisites. Optimized geometries, band structures and magnetic properties modified by defects are demonstrated. We find that the lattice constant and cohesive energy only get slight change compared with the perfect monolayer, while the band gap and magnetic moment appear observable variations. The VN (vacancy of N atom) induces a defect state which leads the system to be metallic; The VGa (vacancy of Ga atom), VGaN (vacancy of GaN pair) and one of GaâN (exchanging neighboring atoms) defects introduce net magnetic moment to the systems, which also present half-metallic features; NGa (replacing Ga with N atom) also produces magnetic moment but the system remains semiconductor. Among the defects considered, VN and NGa have the lowest and highest formation energies, respectively. These results provide a development in defective nitride monolayers and provide a reference for extending potential applications.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica E: Low-dimensional Systems and Nanostructures - Volume 103, September 2018, Pages 289-293
Journal: Physica E: Low-dimensional Systems and Nanostructures - Volume 103, September 2018, Pages 289-293
نویسندگان
Han Gao, Yunzhen Zhang, Han Ye, Zhongyuan Yu, Yumin Liu, Yinfeng Li,