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- W2493213297 abstract "One of the specific subjects in frustrated magnetic systems is the phenomenon coupled with noncollinear magnetism, such as zero or negative thermal expansion (ZTE or NTE) in antiperovskite compounds. The first-principles calculations and neutron powder diffraction (NPD) are used to reveal the control of the noncollinear Γ5g antiferromagnetic (AFM) structure and corresponding thermal expansion properties in Mn3Zn0.875X0.125N (X = Mn, Ge, and Sn). Based on the optimal exchange-correlation functional, our results demonstrate that X (X = Mn, Ge, and Sn) doping at Zn site could stabilize the noncollinear Γ5g AFM structure and produce magnetovolume effect (MVE). The predictions of Γ5g AFM ground state and MVE is further verified by the NPD results of Mn3Zn0.83Mn0.15N0.99. Intriguingly, this special magnetic structure with strong spin–lattice coupling can be tunable to achieve ZTE behavior. On the basis of these results we suggest that frustrated magnetic systems with noncollinear Γ5g AFM structure of Mn atoms in Mn3ZnN series of compounds are favorable candidates for a new class of ZTE material." @default.
- W2493213297 created "2016-08-23" @default.
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- W2493213297 date "2015-10-28" @default.
- W2493213297 modified "2023-10-15" @default.
- W2493213297 title "Frustrated Triangular Magnetic Structures of Mn<sub>3</sub>ZnN: Applications in Thermal Expansion" @default.
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- W2493213297 doi "https://doi.org/10.1021/acs.jpcc.5b07225" @default.
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