文献类型：期刊文献

英文题名：Transition Metal Adsorbed- Doped ZnO Monolayer: 2D Dilute Magnetic Semiconductor, Magnetic Mechanism, and Beyond 2D

作者：Zhang, Meng[1];Shi, Xinying[2];Wang, Xiao[1];Li, Taohai[3];Huttula, Marko[2];Luo, Youhua[1];Cao, Wei[2]

机构：[1]East China Univ Sci & Technol, Dept Phys, Meilong Rd 130, Shanghai 200237, Peoples R China;[2]Univ Oulu, Nano & Mol Syst Res Unit, POB 3000, FIN-90014 Oulu, Finland;[3]Xiangtan Univ, Minist Educ, Coll Chem, Key Lab Environm Friendly Chem & Applicat, Xiangtan 411105, Peoples R China

年份：2017

卷号：2

期号：3

起止页码：1192

外文期刊名：ACS OMEGA

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000399309700051)】；

基金：The authors acknowledge with great thanks Prof. Jian-Zu Zhang for his insightful suggestions and discussions. This work is financially supported by the National Natural Science Foundation of China (grant nos. 21303054, 21601149), the Strategic Grant of Oulu University, and the European Union Regional Development Foundation and Council of Oulu Region. X.S. acknowledges financial support from China Scholarship Council.

语种：英文

摘要：As an improvement over organic or inorganic layered crystals,the synthetic monolayer ZnO(M) inherits semiconductivity and hostability from its bulk,yet it acts as a promising host for dilute magnetic semiconductors. Here,we report the electronic and magnetic properties of ZnO(M) doped with one 3d transition metal ion and simultaneously adsorbed with another 3d transition metal ion. Two sequences are studied,one where the dopant is fixed to Mn and the adsorbate is varied from Sc to Zn and another where the dopant and adsorbate are reversed. First-principles results show that the stable adsorbed-doped systems possess a lower bandgap energy than that of the host. System magnetic moments can be tuned to |5 -x|mu(B),where x refers to the magnetic moment of the individual 3d atom. An interplay between superexchange and direct exchange yields a ferromagnetic system dually adsorbed-doped with Mn. In addition to a novel material design route,the magnetic interaction mechanism is found beyond two dimensions,having been identified for its three-dimensional bulk and zero-dimensional cluster counterparts.