当前位置: X-MOL 学术Cryst. Growth Des. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Single Crystal Growth and Structural Characterization of Theoretically Predicted Nanolaminates M2Al2C3, Where M = Sc and Er
Crystal Growth & Design ( IF 3.8 ) Pub Date : 2020-11-02 , DOI: 10.1021/acs.cgd.0c00719
Quanzheng Tao 1 , Pernilla Helmer 1 , Laurent Jouffret 2 , Martin Dahlqvist 1 , Jun Lu 1 , Jie Zhou 1 , Johanna Rosen 1
Affiliation  

Nanolaminated materials including magnetic elements are of special interest for commonly observed nontrivial magnetic characteristics and as potential precursors for 2D materials. Here, we explore the previously unknown layered phase M2Al2C3, where M = Sc and Er. Sc2Al2C3 was synthesized as single crystals of ∼mm2 size, and its structure was determined by single crystal X-ray diffraction and scanning transmission electron microscopy. Evaluation of phase stability and possible vacancy formation based on first-principles calculations confirms the attained phase and suggests full occupancy on both the Al and C sites. Potential realization of the hypothetical phase Y2Al2C3 is also proposed. Furthermore, we also demonstrate that Er2Al2C3 can be synthesized in powder form, providing experimental evidence for stoichiometries based on rare earth elements, which, in turn, suggests possible incorporation of other lanthanides.

中文翻译:

理论上预测的纳米层合物M 2 Al 2 C 3的单晶生长和结构表征,其中M = Sc和Er

包含磁性元素的纳米层合材料对于通常观察到的非平凡磁性特征以及作为2D材料的潜在前体尤为重要。在这里,我们探索了以前未知的分层相M 2 Al 2 C 3,其中M = Sc和Er。Sc 2 Al 2 C 3以〜mm 2的单晶形式合成通过单晶X射线衍射和扫描透射电子显微镜确定其结构。根据第一性原理对相稳定性和可能的​​空位形成进行评估,可以确定所达到的相,并表明在Al和C位点均已完全占据。还提出了可能的假设相Y 2 Al 2 C 3的实现。此外,我们还证明了可以以粉末形式合成Er 2 Al 2 C 3,为基于稀土元素的化学计量提供了实验证据,这反过来暗示可能会掺入其他镧系元素。
更新日期:2020-12-02
down
wechat
bug