Scholarlink

<p>We report a first-principles study of magnetic properties of a monolayer CrI<sub>2</sub> under external strain. Our results reveal that an intrinsic CrI<sub>2</sub> monolayer is antiferromagnetic (AFM) in its ground state. However, applying strain destabilizes this magnetic order, leading to a phase transition. Specifically, biaxial tensile strain above 2% or uniaxial strain along the <i>a</i>-axis exceeding 4% induces a transition from the AFM to the ferromagnetic (FM) state. This behavior arises from competing magnetic interactions of direct nearest-neighbor interaction and <i>d</i>-<i>p</i>-<i>d</i> superexchange interactions mediated by iodine <i>p</i>-orbitals. Our analysis highlights the dominant FM first nearest-neighbor exchange (<i>J</i><sub>1</sub> &gt; 0) and its AFM-FM transition through modulation of the second nearest-neighbor exchange (<i>J</i><sub>2</sub>). We discuss the mechanism of the superexchange interaction based on the Goodenough-Kanamori rule and Anderson’s mechanism to clarify the origin of the magnetic phase transition. These findings highlight the potential of strain engineering to modulate magnetic coupling in CrI<sub>2</sub>, making it a promising candidate for future nanospintronics applications.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Tunable magnetic coupling of monolayer CrI2 by strain engineering

  • 期刊论文

  • 出版模式：

    开放获取

  • 发表日期：

    2025年8月4日

查看全文
  • Hanif Yuandi Widyandaru,
  • Yoshihiro Gohda

摘要

We report a first-principles study of magnetic properties of a monolayer CrI2 under external strain. Our results reveal that an intrinsic CrI2 monolayer is antiferromagnetic (AFM) in its ground state. However, applying strain destabilizes this magnetic order, leading to a phase transition. Specifically, biaxial tensile strain above 2% or uniaxial strain along the a-axis exceeding 4% induces a transition from the AFM to the ferromagnetic (FM) state. This behavior arises from competing magnetic interactions of direct nearest-neighbor interaction and d-p-d superexchange interactions mediated by iodine p-orbitals. Our analysis highlights the dominant FM first nearest-neighbor exchange (J1 > 0) and its AFM-FM transition through modulation of the second nearest-neighbor exchange (J2). We discuss the mechanism of the superexchange interaction based on the Goodenough-Kanamori rule and Anderson’s mechanism to clarify the origin of the magnetic phase transition. These findings highlight the potential of strain engineering to modulate magnetic coupling in CrI2, making it a promising candidate for future nanospintronics applications.