Significant Structure Modulation in Polar Antiferromagnet FeCoMo3O8

Author:

Zhang Chenjia12,Zhao Yu12,Nie Hao12,Zheng Can12,Li Fei12,Zhou Dingran12,Gao Ruishuai12,Shen Hongxian12,Jiang Sida23,Zhang Lunyong12ORCID,Sun Jianfei12

Affiliation:

1. School of Materials Science and Engineering Harbin Institute of Technology Harbin 150001 China

2. National Key Laboratory of Precision Hot Processing of Metals Harbin Institute of Technology Harbin 150001 China

3. Space Environment Simulation Research Infrastructure Harbin Institute of Technology Harbin 150001 China

Abstract

The discovery of giant magnetoelectric effect in Fe2Mo3O8 has sparked considerable interest in investigating the novel effects of M2Mo3O8 (M = Zn, Mn, Fe, Co, Ni) family, in particular the emergent physics driven by the M‐site ions. Herein, the structural evolution due to M‐site mixing is studied in the compound FeCoMo3O8 whose unit cell volume and lattice constant are slightly tuned compared with those of Fe2Mo3O8 and Co2Mo3O8. However, significant structure distortion occurs on the octahedron and tetrahedron as a result of the relaxation of the unbalanced force, caused by the distinction of the M ion radius in the mixing case. The octahedron and tetrahedron are shifted toward each other along the c‐axis which increases the coplanarity of the Fe and Co ions. The octahedron is compressed along the D3d‐symmetry axis and its bonds are elongated significantly. A complex tension‐like distortion is induced for the tetrahedron. Its bond along the C3v‐symmetry axis is elongated and other three bonds are shortened. The study demonstrates that ions mixing at the M sites would introduce intrigue structure modulation in the M2Mo3O8 family, which would tune the electronic orbit structure. This may shed new light on understanding the emergent behaviors of the material family.

Funder

Fundamental Research Funds for the Central Universities

Publisher

Wiley

Subject

Condensed Matter Physics,Electronic, Optical and Magnetic Materials

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