The enhancement of magnetism and the occurrence of phase transition in Fe doped g-C3N4 nanoribbons

被引:5
作者
Wang, Zhihao [1 ]
Jiang, Xue [2 ]
Fan, Dong [1 ]
Li, Hengshuai [1 ]
Pu, Xipeng [2 ]
Hu, Haiquan [1 ]
Guo, Feng [1 ]
Feng, Zhenbao [1 ]
Li, Jun [3 ]
Zhang, Dong [1 ]
Hu, Xiaocheng [1 ]
Yin, Maoye [1 ]
Zhu, Minghui [1 ]
Li, Zhi [1 ]
机构
[1] Liaocheng Univ, Sch Phys Sci & Informat Technol, Shandong Key Lab Opt Commun Sci & Technol, Liaocheng 252000, Peoples R China
[2] Liaocheng Univ, Sch Mat Sci & Engn, Shandong Prov Key Lab Chem Energy Storage & Novel, Liaocheng 252000, Peoples R China
[3] Liaocheng Univ, Sch Chem & Chem Engn, Liaocheng 252000, Peoples R China
关键词
GRAPHITIC CARBON NITRIDE; TOTAL-ENERGY CALCULATIONS; AB-INITIO; ELECTRONIC-STRUCTURE; C3N4; TRIAZINE; METALS; GAP;
D O I
10.1140/epjb/s10051-023-00607-x
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
Two-dimensional graphene-like materials have numerous pores, large surface areas, and other excellent properties. And two-dimensional graphene-like materials have great potential in magnetic and spintronic devices. In this paper, we intercepted a fraction of g-C3N4 and prepared it into nanoribbons. We have calculated the g-C3N4 nanoribbons by studying the electronic structure of g-C3N4 nanoribbons to determine whether they can be used as spintronic and magnetic memory devices. Because the g-C3N4 nanoribbons have a narrow band gap and more overlapping wave functions, to turn the performance of the g-C3N4 nanoribbons, it was decided to dope transition metal Fe atoms. Subsequently, we found that the doped g-C3N4 nanoribbons with Fe atoms undergo a phase transition, from semiconducting property to half-metallic property, and the magnetic property of the g-C3N4 nanoribbons is enhanced by doped Fe atoms, so the performance of the g-C3N4 nanoribbons was improved.
引用
收藏
页数:8
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