文献类型：期刊文献

英文题名：Manipulating electronic and magnetic properties of black phosphorene with 4d series transition metal adsorption

作者：Wang, Yusheng[1,3,4];Song, Nahong[2,3,4];Dong, Na[1];Luo, Shijun[1];Jia, Min[1];Xu, Kai[1];Zheng, Yafeng[2];Ling, Hong[1];Li, Meng[5]

第一作者：Wang, Yusheng

通讯作者：Wang, YS[1]

机构：[1]North China Univ Water Resources & Elect Power, Coll Phys & Elect, Zhengzhou 450046, Henan, Peoples R China;[2]Henan Univ Econ & Law, Coll Comp & Informat Engn, Zhengzhou 450000, Henan, Peoples R China;[3]Zhengzhou Univ, Int Joint Res Lab Quantum Funct Mat Henan, Zhengzhou 450001, Henan, Peoples R China;[4]Zhengzhou Univ, Sch Phys & Engn, Zhengzhou 450001, Henan, Peoples R China;[5]Zhongyuan Univ Technol, Coll Sci, Zhengzhou 450007, Henan, Peoples R China

第一机构：North China Univ Water Resources & Elect Power, Coll Phys & Elect, Zhengzhou 450046, Henan, Peoples R China

通讯机构：[1]corresponding author), North China Univ Water Resources & Elect Power, Coll Phys & Elect, Zhengzhou 450046, Henan, Peoples R China.

年份：2019

卷号：383

期号：23

起止页码：2765-2771

外文期刊名：PHYSICS LETTERS A

收录：;EI(收录号：20202208740496);Scopus(收录号：2-s2.0-85067247404);WOS:【SCI-EXPANDED(收录号:WOS:000477788000014)】；

基金：The work was support by the National Natural Science Foundation of China (Grant Nos. 11404112, U1604131, 61841702), Funding scheme for young teachers in colleges and universities in Henan province (Grant No. 2017GGJS077).

语种：英文

外文关键词：Black phosphorene; Diluted magnetic semiconductor; Transition metal; Adsorption

摘要：We carry out first-principles calculations within density-functional theory to investigate the structural, electronic and magnetic properties of 4d transition metal (TM) decorated monolayer black phosphorene (BP). The results indicate that the TM adsorption on BP can have dilute magnetic semiconductor (DMS) properties. The spin polarized semiconducting state is realized in BP by adsorption of Y, Nb and Ru, while a half-metal state is obtained by Tc adsorption. In the case of two same types of TMs adsorption on BP, only 2Nb-s@BP shows DMS state. In particular, two different types of TMs decorated BP can induce magnetic moments, localized mainly on the 4d TMs and the neighboring P atoms. Furthermore, the 4d TMs may enrich the electronic properties of BP, such as half-metallic, metallic and semiconducting features. These findings suggest that the 4d TM adsorbed BP can be used as a potential next-generation spintronics and magnetic storage material. (C) 2019 Elsevier B.V. All rights reserved.