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Invar-like Behavior of Antiperovskite Mn3+xNi1-xN Compounds



Sihao Deng, Ying Sun, Hui Wu, Qingzhen Huang, Jun Yan, Kewen Shi, Muhammad Imran Malik, Huiqing Lu, Lei Wang, Rongjin Huang, Laifeng Li, Cong Wang


The antiperovskite Mn3+xNi1-xN compounds have been synthesized and characterized by a variety of experimental techniques. After Mn doping at Ni site, both ferromagnetic characteristics and Invar-like effect were observed in the antiferromagnetic host material. The observed Invar-like effect were observed in the antiferromagnetic host material. The observed Invar-like behavior was assumed to be related to the characteristic magnetic structure induced by the doping stabilizes the special Γ5g antiferromagnetic phase with strong spin-lattice coupling that can be tuned to achieve Invar-like behavior. The magnetovolume effect (MVE)and significant correlation between spin and lattice were confirmed for Γ5g magnetic phase by the first-principles calculations. Moreover, Mn-3d electron were revealed to be the key factor for MVE from the calculations. Our study presents a new mechanism to precisely control the zero thermal expansion (ZTE) of a single compound by getting the specialΓ5g magnetic phase of Mn atoms.
Chemistry of Materials


Invar-like behavior, ¿5g magnetic phase, Magnetovolume effect, Mn3NiN


Deng, S. , Sun, Y. , Wu, H. , Huang, Q. , Yan, J. , Shi, K. , Malik, M. , Lu, H. , Wang, L. , Huang, R. , Li, L. and Wang, C. (2015), Invar-like Behavior of Antiperovskite Mn<sub>3+x</sub>Ni<sub>1-x</sub>N Compounds, Chemistry of Materials, [online], (Accessed May 30, 2024)


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Created March 4, 2015, Updated October 12, 2021