Materials Design Division, Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-58183 Linköping, Sweden.
Thin Film Physics Division, Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-58183 Linköping, Sweden.
Inorg Chem. 2023 Apr 10;62(14):5341-5347. doi: 10.1021/acs.inorgchem.2c03729. Epub 2023 Mar 29.
We report the synthesis of three out-of-plane chemically ordered quaternary transition metal borides (-MAB phases) of the chemical formula MCrSiB (M = Mo, W, Nb). The addition of these phases to the recently discovered -MAB phase TiMoSiB shows that this is indeed a new family of chemically ordered atomic laminates. Furthermore, our results expand the attainable chemistry of the traditional MSiB MAB phases to also include Cr. The crystal structure and chemical ordering of the produced materials were investigated using high-resolution scanning transmission electron microscopy and X-ray diffraction by applying Rietveld refinement. Additionally, calculations based on density functional theory were performed to investigate the Cr preference for occupying the minority 4 Wyckoff site, thereby inducing chemical order.
我们报告了化学式为 MCrSiB（M = Mo、W、Nb）的三种面外化学有序的四元过渡金属硼化物（-MAB 相）的合成。这些相的加入到最近发现的 -MAB 相 TiMoSiB 表明，这确实是一个新的化学有序原子层状化合物家族。此外，我们的结果将传统 MSiB MAB 相的可获得化学扩展到还包括 Cr。通过应用 Rietveld 精修，使用高分辨率扫描透射电子显微镜和 X 射线衍射研究了所制备材料的晶体结构和化学有序性。此外，还基于密度泛函理论进行了计算，以研究 Cr 占据少数 4 Wyckoff 位置从而诱导化学有序的偏好。
