%A Tan Xing-Yi, Wang Jia-Heng, Zhu Yi-Yi, Zuo An-You, Jin Ke-Xin
%T First-principles calculations of phosphorene doped with carbon, oxygen and sulfur
%0 Journal Article
%D 2014
%J Acta Physica Sinica
%R 10.7498/aps.63.207301
%P 207301
%V 63
%N 20
%U {http://wulixb.iphy.ac.cn/CN/abstract/article_61495.shtml}
%8 1900-01-01
%X Using first-principles calculations based on density functional theory and plane pseudo-potential method, we investigate the geometric structures, magnetic properties and electronic structures of phosphorene with phosphorus substituted by carbon (C_{P}), oxygen (O_{P}) and sulfur (S_{P}). The results show that the phosphorene with S_{P} presents a less geometric distortion than with O_{P} and C_{N}. Although the pure phosphorene is non-magnetic, all the doped systems are magnetic, each with a magnetization value of 1 *μ*_{B} per cell. The doped systems with stable ferromagnetism play an important role in developing spin electric devices.