Giant negative thermal expansion in antiperovskite manganese nitrides

Abstract

Giant negative thermal expansion (NTE), over α = −30 × 10−6 K−1 (α: coefficient of linear thermal expansion), at room temperature can be achieved in Mn3ZnN-based antiperovskite manganese nitrides by simultaneous substitution of C and B for N as well as Sn for Zn. The developed NTE nitrides show larger negative α, although the width of the operating-temperature window is comparable to that of Mn3CuN-based materials developed to date. Such a large, isotropic, and high-stiffness NTE material can compensate for the large positive thermal expansion of, for example, even aluminum or plastic materials.

Negative thermal expansion and compressibility of Sc1–xYxF3 (x≤0.25)

“…4 Furthermore, isotropic thermal expansion is especially desirable for avoiding internal microcracking in ceramic bodies, even in materials whose volume CTE is near zero. 1 Since strong isotropic NTE was reported in ZrW 2 O 8 over a broad temperature range, 8 the list of known NTE materials has become increasingly varied and now includes various framework oxides, 4 zeolites, 9 cyanides, [10][11][12][13][14] antiperovskite nitrides, [15][16][17][18][19][20][21] and metal-organic frameworks. [22][23][24][25] Framework oxides that show NTE generally have quite complex crystal structures, so the much simpler cubic ReO 3 -type structure is often used in introductory discussions 5 of NTE arising from the transverse thermal motion of bridging moieties in framework solids via a rigid unit mode (RUM) mechanism.…”

Negative thermal expansion materials: technological key for control of thermal expansion

“…The 4g AF structure ( figure 10(b)) also satisfies the ferromagnetic alignment of the next-nearest-neighbor spins, but it yields a small magnetovolume effect [83]. [76,84]. An important difference between the two configurations is the sign of the magnetic dipole interaction of the next-nearest-neighbor moments: repulsive in the 5g configuration, but attractive in the 4g configuration.…”

“…The NTE in manganese antiperovskites [73][74][75][76][77][78][79] sharp volume change due to the first-order magnetic transition ( figure 9). Manganese antiperovskites have several advantages over existing NTE materials.…”

A first-principles study on the negative thermal expansion material: Mn3(A0.5B0.5)N (A=Cu, Zn, Ag, or Cd; B=Si, Ge, or Sn)

“…When the Ge atoms were replaced by Sn, the compound Mn 3 (Cu 1-x Sn x )N exhibited the NTE with a higher transition temperature and a lower amplitude of the NTE coefficient, [20][21][22] working temperature. 23 For the compound Mn 3 (Zn 1-x Sn x )N, 24,25 the NTE behaviors were much better than those in Mn 3 (Cu 1-x Ge x )N, which was attributed to the larger volume contraction at the magnetic transition in the perfect compound Mn 3 ZnN. Besides, the element Ge was also a good choice to broaden the volume contraction in Mn 3 ZnN.…”