Synergistic computational and experimental discovery of novel magnetic materials,Molecular Systems Design & Engineering

当前位置： X-MOL 学术 › Mol. Syst. Des. Eng. › 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.)

Synergistic computational and experimental discovery of novel magnetic materials
Molecular Systems Design & Engineering ( IF 3.2 ) Pub Date : 2020-06-08 , DOI: 10.1039/d0me00050g
Balamurugan Balasubramanian _{1,

2,

3,

4} , Masahiro Sakurai _{4,

5,

6,

7,

8} , Cai-Zhuang Wang _{4,

9,

10,

11,

12} , Xiaoshan Xu _{1,

2,

3,

4} , Kai-Ming Ho _{4,

9,

10,

11,

12} , James R. Chelikowsky _{4,

5,

6,

7,

8} , David J. Sellmyer _{1,

2,

3,

4}

Affiliation

New magnetic materials for energy and information-processing applications are of paramount importance in view of significant global challenges in environmental and information security. The discovery and design of materials requires efficient computational and experimental approaches for high throughput and efficiency. When increasingly powerful computational techniques are combined with special non-equilibrium fabrication methods, the search can uncover metastable compounds with desired magnetic properties. Here we review recent results on novel Fe-, Co- and Mn-rich magnetic compounds with high magnetocrystalline anisotropy, saturation magnetization, and Curie temperature created by combining experiments, adaptive genetic algorithm searches, and advanced electronic-structure computational methods. We discuss structural and magnetic properties of such materials including Co– and/or Fe–X compounds (X = N, Si, Sn, Zr, Hf, Y, C, S, Ti, or Mn), and their prospects for practical applications.

中文翻译：

新型磁性材料的协同计算和实验发现

考虑到全球在环境和信息安全方面的巨大挑战，用于能源和信息处理应用的新型磁性材料至关重要。材料的发现和设计需要高效的计算和实验方法，以实现高通量和效率。当越来越强大的计算技术与特殊的非平衡制造方法结合使用时，搜索可以发现具有所需磁性的亚稳态化合物。在这里，我们通过结合实验，自适应遗传算法搜索和先进的电子结构计算方法，回顾了具有高磁晶各向异性，饱和磁化强度和居里温度的新型富铁，富钴和锰磁性化合物。

更新日期：2020-07-13

点击分享查看原文

点击收藏

阅读更多本刊最新论文