标题:Density-functional theory study on ferromagnetism in N:ZnS
作者:Zhang, Chang-wen; Yan, Shi-shen; Wang, Pei-ji; Zhang, Zhong
作者机构:[Zhang, Chang-wen; Wang, Pei-ji; Zhang, Zhong] Univ Jinan, Sch Sci, Jinan 250022, Shandong, Peoples R China.; [Yan, Shi-shen] Shandong Univ, State K 更多
通讯作者:Zhang, CW
通讯作者地址:[Zhang, CW]Univ Jinan, Sch Sci, Jinan 250022, Shandong, Peoples R China.
来源:CHEMICAL PHYSICS LETTERS
出版年:2010
卷:496
期:1-3
页码:46-49
DOI:10.1016/j.cplett.2010.06.069
摘要:The electronic structures and magnetism of N-doped ZnS are investigated using the full-potential linearized augmented plane-wave (FLAPW) method. We find that an isolated N atom produces a total magnetic moment of 1.0 mu(B) and introduces spin-polarized 2p states in the band gap. Several doping configurations studied suggest the existence of ferromagnetic coupling between N atoms. The long-range ferromagnetic order in N:ZnS system is mainly driven by N-Zn-S-Zn-N coupling chain through the strong p-p interactions between N and host S atoms. (C) 2010 Elsevier B.V. All rights reserved.
收录类别:EI;SCOPUS;SCIE
WOS核心被引频次:17
Scopus被引频次:17
资源类型:期刊论文
原文链接:https://www.scopus.com/inward/record.uri?eid=2-s2.0-77955552254&doi=10.1016%2fj.cplett.2010.06.069&partnerID=40&md5=07ded9d0ba8520be42ef683842ca9fda
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