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تسجيل مستخدم جديدTemperature-dependent pressure-induced softening in Zn(CN)$_{2}$
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We investigate the temperature dependence of the pressure-induced softening in the negative thermal expansion material Zn(CN)$_2$ using neutron powder diffraction and molecular dynamics simulations. Both the simulation and experiment show that the pressure-induced softening only occurs above a minimum temperature and also weakens at high temperatures.
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Using dc and ac magnetometry, the pressure dependence of the magnetization of the three-dimensional antiferromagnetic coordination polymer Mn(N(CN)$_{2}$)$_{2}$ was studied up to 12 kbar and down to 8K. The magnetic transition temperature, $T_c$, inc
reases dramatically with applied pressure $(P)$, where a change from $T_c(P=text{ambient}) = 16.0$ K to $T_c(P=12.1$~kbar$) = 23.5$ K was observed. In addition, a marked difference in the magnetic behavior is observed above and below 7.1 kbar. Specifically, for $P<7.1$ kbar, the differences between the field-cooled and zero-field-cooled (fc-zfc) magnetizations, the coercive field, and the remanent magnetization decrease with increasing pressure. However, for $P>7.1$ kbar, the behavior is inverted. Additionally, for $P>8.6$ kbar, minor hysteresis loops are observed. All of these effects are evidence of the increase of the superexchange interaction and the appearance of an enhanced exchange anisotropy with applied pressure.
The results reported by Wei et al. [Phys. Rev. Lett. 124, 255502 (2020)] can be confronted with predictive, quantitative theories of negative thermal expansion (NTE) and pressure-induced softening, allowing to corroborate, or invalidate certain appro
aches. Motivated to corroborate the quantitative predictions of the recent Coulomb Floppy Network (CFN) microscopic theory of vibrational and thermomechanical properties of empty perovskite crystals [Tkachenko and Zaliznyak, arXiv:1908.11643 (2019)], we compared theory prediction for the mean-squared transverse displacement of the F atoms, U$_{perp}$, with that reported in Fig. 5 of Wei et al. and observed a marked discrepancy (an order-of-magnitude larger than the error bar). We then compared these results with the previously published Xray diffraction data of Greve, et al. [JACS 132, 15496 (2010)] and the neutron diffraction data of Wendt, et al. [Science Advances 5 (2019), 10.1126/sciadv.aay2748]. We found the latter two data sets to be in a good agreement with each other, as well as with the prediction of CFN theory. We thus conclude that U$_{perp}$ values reported in Fig. 5 of Wei et al. are substantially incorrect. The purpose of this Comment is twofold: (i) to caution the researchers against using the U$_{perp}$ data of Wei et al. for quantitative comparisons with theory, and (ii) to encourage Wei et al. to reconsider their analysis and obtain a reliable U$_{perp}$ data by better accounting for the beam transmission and attenuation effects.
Zn(CN)2 and Ni(CN)2 are known for exhibiting anomalous thermal expansion over a wide temperature range. The volume thermal expansion coefficient for the cubic, three dimensionally connected material, Zn(CN)2, is negative ({alpha}V = -51 x 10-6 K-1) w
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