High Curie-temperature intrinsic ferromagnetism and hole doping-induced half-metallicity in two-dimensional scandium chlorine monolayers†,Nanoscale Horizons

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High Curie-temperature intrinsic ferromagnetism and hole doping-induced half-metallicity in two-dimensional scandium chlorine monolayers†
Nanoscale Horizons ( IF 8.0 ) Pub Date : 2018-07-19 00:00:00 , DOI: 10.1039/c8nh00101d
Bing Wang _{1,

2,

3} , Qisheng Wu _{1,

2,

3} , Yehui Zhang _{1,

2,

3} , Yilv Guo _{1,

2,

3} , Xiwen Zhang _{1,

2,

3} , Qionghua Zhou _{1,

2,

3} , Shuai Dong _{1,

2,

3} , Jinlan Wang _{1,

2,

3,

4,

5}

Affiliation

Two-dimensional (2D) ferromagnetic materials provide new platforms for spintronic applications, but most of the reported 2D magnetic orderings can only be maintained at low temperature. The search for high Curie temperature intrinsic ferromagnetism is still a current hotspot. Herein through comprehensive first-principles calculations and Monte Carlo simulation, we predict a promising 2D scandium chlorine (ScCl) monolayer with intrinsic ferromagnetism and a Curie temperature of 185 K, which is much higher than that of the reported CrI₃ monolayer (45 K) and the boiling point of liquid nitrogen (77 K). Moreover, a small amount of hole doping can induce a transition from a ferromagnetic metal to a half-metal. Furthermore, the ScCl monolayer possesses excellent thermal and dynamical stabilities as well as feasibility of experimental exfoliation from its layered bulk. These intriguing electronic and magnetic properties make the ScCl monolayer a promising candidate for spintronic applications.

中文翻译：

二维scan氯单层中的高居里温度本征铁磁性和空穴掺杂诱导的半金属性†

二维（2D）铁磁材料为自旋电子学应用提供了新的平台，但是大多数已报道的2D磁序只能保持在低温下。寻找居里温度高的固有铁磁性仍然是当前的热点。在此，通过全面的第一性原理计算和蒙特卡洛模拟，我们预测了具有前途的二维intrinsic氯（ScCl）单层，其固有的铁磁性和居里温度为185 K，远高于报道的CrI _3。单层（45 K）和液氮的沸点（77 K）。而且，少量的空穴掺杂会引起从铁磁金属到半金属的过渡。此外，ScCl单层具有出色的热稳定性和动力学稳定性，以及从其层状体中进行实验性剥离的可行性。这些引人入胜的电子和磁性质使得ScCl单层成为自旋电子学应用的有前途的候选者。

更新日期：2018-07-19

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