کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5450028 1512856 2017 18 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Impurity characteristics of group V and VII element-doped two-dimensional ZrSe2 monolayer
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
Impurity characteristics of group V and VII element-doped two-dimensional ZrSe2 monolayer
چکیده انگلیسی
Through first-principles calculations, we investigate the electronic structures, formation energy and transition level of the selected group V and VII impurities in the two-dimensional ZrSe2 monolayer. Our results indicate that group V and VII atoms substituting Se atom can be easier under Zr-rich experiment conditions. Moreover, group V element substituting doping can induce p-type carrier due to their negative formation energy and shallow transition level, while group VII doping can not be effective to induce the n-type impurities. In particular, N substituting Se exhibits the lowest formation energy and shallowest transition level, which indicates that N impurities can offer effective p-type carriers in the ZrSe2 monolayer.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica E: Low-dimensional Systems and Nanostructures - Volume 93, September 2017, Pages 279-283
نویسندگان
, , ,