Controllable high Curie temperature through 5d transition metal atom doping in CrI_(3)  

作　　者：彭雪兵 司明苏 高大强 Xuebing Peng;Mingsu Si;Daqiang Gao(School of Physical Science and Technology,Lanzhou University,Lanzhou 730000,China;School of Materials and Energy,Lanzhou University,Lanzhou 730000,China)

机构地区：[1]School of Physical Science and Technology,Lanzhou University,Lanzhou 730000,China [2]School of Materials and Energy,Lanzhou University,Lanzhou 730000,China

出　　处：《Chinese Physics B》2024年第1期702-707,共6页中国物理B（英文版）

摘　　要：Two-dimensional(2D) CrI_(3) is a ferromagnetic semiconductor with potential for applications in spintronics. However,its low Curie temperature(T_(c)) hinders realistic applications of CrI3. Based on first-principles calculations, 5d transition metal(TM) atom doping of CrI_(3)(TM@CrI_(3)) is a universally effective way to increase T_(c), which stems from the increased magnetic moment induced by doping with TM atoms. T_(c) of W@CrI_(3) reaches 254 K, nearly six times higher than that of the host CrI_(3). When the doping concentration of W atoms is increased to above 5.9%, W@CrI_(3) shows room-temperature ferromagnetism. Intriguingly, the large magnetic anisotropy energy of W@CrI_(3) can stabilize the long-range ferromagnetic order. Moreover, TM@CrI_(3) has a strong ferromagnetic stability. All TM@CrI_(3) change from a semiconductor to a halfmetal, except doping with Au atom. These results provide information relevant to potential applications of CrI_(3) monolayers in spintronics.

关 键 词：FERROMAGNETISM magnetic anisotropy energy Curie temperature HALF-METAL 

分 类 号：O469[理学—凝聚态物理]