Selective occupancy of Fe substitution enhance the room-temperature ferromagnetism of (FexNi1-x)2P nanocrystals: Experimental and theoretical studies

被引：4

作者：

Wang, Dan ^{[1
]}

Xing, Hongna ^{[1
]}

Wang, Luyao ^{[1
]}

Deng, Xia ^{[2
]}

Liu, Xin ^{[3
,4
]}

Zheng, Jiming ^{[1
]}

Li, Xinghua ^{[1
]}

Zong, Yan ^{[1
]}

Feng, Juan ^{[1
]}

Zhu, Xiuhong ^{[1
]}

Zheng, Xinliang ^{[1
]}

机构：

[1] Northwest Univ, Sch Phys, State Key Lab Photon Technol Western China Energy, Xian 710127, Peoples R China

[2] Lanzhou Univ, Electron Microscopy Ctr, Sch Mat & Energy, Lanzhou 730000, Peoples R China

[3] Northeastern Univ, Sch Mat Sci & Engn, Shenyang 110819, Peoples R China

[4] Northeastern Univ Qinhuangdao, Sch Resources & Mat, Qinhuangdao 066004, Peoples R China

来源：

PHYSICA B-CONDENSED MATTER | 2024年 / 673卷

基金：

中国国家自然科学基金;

关键词：

FexNi1-x)2P; Ferromagnetism; Mo center dot ssbauer spectroscopy; First-principles calculations; MAGNETIC-PROPERTIES; FE-57; MOSSBAUER; PHOSPHIDE; TRANSITION; CATALYSTS; CO;

D O I：

10.1016/j.physb.2023.415495

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Understanding the heteroatoms occupancy in metal phosphides is significant to regulate their properties. (FexNi1-x)(2)P (0 <= x <= 0.5) nanocrystals were prepared by thermal decomposition. Effects of Fe substitution on structure, morphology and magnetic properties were studied. As the Fe content increases, (FexNi1-x)(2)P maintain hexagonal structure with morphologies changing from sphere to irregular sheet. Atomic HAADF-STEM image reveals that the atom configuration matches well with [001] crystallographic orientation. (FexNi1-x)(2)P nanocrystals show room-temperature ferromagnetism. The Ms values and magnetocrystalline anisotropy are enhanced by increasing Fe substitution. The Ms value of (Fe0<middle dot>5Ni0.5)(2)P reaches 2.092 emu/g, 19.5 times larger than Ni2P. XPS and M & ouml;ssbauer spectra show that Fe2+/Fe3+ selectively occupy tetrahedral and pyramidal positions due to the difference of ionic radius, resulting in enhanced room-temperature ferromagnetism. First-principles calculations show that Fe substitution can induce ferromagnetic ordering in Ni2P, and Fe substitution in pyramidal positions induces larger magnetic moment, further confirming the experimental results.

引用

页数：9

共 38 条

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