Inorg Chem. 2018 Nov 19;57(22):14178-14185. doi: 10.1021/acs.inorgchem.8b02148. Epub 2018 Nov 7.
In this paper, we report for the first time formation of novel manganese monocarbide (MnC) using laser-heated diamond anvil cell (LHDAC). The synthesis was carried out at high pressure-high temperature (HPHT) and subsequently quenched to ambient condition. The formation and reproducibility have been confirmed in the pressure range of 4.7 to 9.2 GPa. Employing contribution of different probes viz.X-ray diffraction (XRD), selected area electron diffraction (SAED), and ab initio electronic structure calculation, the structure of MnC was found to be ZnS type i.e. a cubic lattice with a = 4.4294(2) Å. The bulk modulus has been determined to be 170(5) GPa from in situ high-pressure X-ray diffraction (HPXRD). Hardness of ZnS type MnC is estimated from an empirical relation to be about 40 GPa, making it a potential superhard material.
本文首次报道了利用激光加热金刚石压腔（LHDAC）合成新型锰单碳化物（MnC）。该合成是在高温高压（HPHT）条件下进行的，随后在环境条件下淬火。在 4.7 到 9.2 GPa 的压力范围内已经确认了其形成和重现性。通过使用不同探针的贡献，即 X 射线衍射（XRD）、选区电子衍射（SAED）和第一性原理电子结构计算，确定了 MnC 的结构为 ZnS 型，即具有 a = 4.4294(2) Å 的立方晶格。通过原位高压 X 射线衍射（HPXRD）确定了体弹模量为 170(5) GPa。根据经验关系估算出 ZnS 型 MnC 的硬度约为 40 GPa，使其成为一种潜在的超硬材料。
