文献类型：期刊文献

英文题名：Ferromagnetism of Ni and I co-doped CdS: A first-principles study

作者：Khan, Muhammad Yar[1];Chen, Miaogen[3];Tao, Shengdan[2];Liao, Qing[4];Ilyas, Asif[6];Zhang, Jing[3];Wu, Haifei[5];Lu, Yunhao[2]

机构：[1]Zhejiang Univ, Sch Mat Sci & Engn, Hangzhou 310027, Peoples R China;[2]Zhejiang Univ, Sch Phys, Zhejiang Prov Key Lab Quantum Technol & Device, Hangzhou 310027, Peoples R China;[3]China Jiliang Univ, Coll Sci, Key Lab Intelligent Mfg Qual Big Data Tracing & An, Hangzhou 310018, Peoples R China;[4]Guilin Univ Elect Technol, Sch Informat & Commun, Guangxi Key Lab Precis Nav Technol & Applicat, Guilin 541004, Peoples R China;[5]Shaoxing Univ, Dept Phys, Shaoxing 312000, Peoples R China;[6]Arid Agr Univ Rawalpindi, Dept Phys, PMAS, Rawalpindi, Pakistan

年份：2023

卷号：480

外文期刊名：PHYSICS LETTERS A

收录：SCI-EXPANDED(收录号：WOS:001025322800001)、、EI(收录号：20232614289511)、Scopus(收录号：2-s2.0-85163156547)、WOS

基金：This work was financially supported by the National Key R & D Program of China (2019YFE0112000) , the National Natural Science Foundation of China (11974307) and the Fundamental Research Funds for the Provincial Universities of Zhejiang (2021YW25) .

语种：英文

外文关键词：DFT based calculations; CdS; Co-doping; Half-metallic ferromagnetism; Band structures

外文摘要：This study provides insight into understanding the electronic and magnetic properties of Ni-doped and (Ni, I) co-doped CdS, which are systematically investigated by adopting the first principles approach. The findings reveal that Ni doping at the Cd site in CdS crystal modifies its ground state of non-magnetic to half-metallic ferromagnet, whereas the introduction of I as a co-doping at the S site changes the ground state of Ni-doped CdS system from half-metallic to magnetic metal. More importantly, it is found that the magnetic moment of Ni-dopant is reduced and the magnetic exchange coupling between Ni sites is enhanced after I co-doping. The estimated Curie temperature of (Ni, I) co-doped CdS is above room temperature. These findings highlight that the co-doped (Ni, I) CdS sample is a promising potential candidate for spintronics applications in future. & COPY; 2023 Elsevier B.V. All rights reserved.