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首页> 外文期刊>Physical chemistry chemical physics: PCCP >Strain-tunable magnetic and electronic properties of monolayer CrI3
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Strain-tunable magnetic and electronic properties of monolayer CrI3

机译：单层CRI3的应变可调磁性和电子性质

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Two-dimensional CrI3 has attracted much attention as it is reported to be a ferromagnetic semiconductor with a Curie temperature of around 45 K. By performing first-principles calculations, we find that the magnetic ground state of CrI3 is variable under biaxial strain. Our theoretical investigations show that the ground state of monolayer CrI3 is ferromagnetic under compression, but becomes antiferromagnetic under tension. Particularly, the transition occurs under a feasible in-plane strain of around 1.8%. Accompanied by the transition of the magnetic ground state, CrI3 undergoes a transition from magnetic-metal to half-metal to half-semiconductor to spin-relevant semiconductor when the strain varies from similar to 15% to 10%. We attribute these transitions to the variation of the d-orbitals of Cr atoms and the p-orbitals of I atoms. Generally, we report a series of magnetic and electronic phase transitions in strained CrI3, which will help both theoretical and experimental researchers in further understanding the tunable electronic and magnetic properties of CrI3 and its analogs.
机译：二维CRI3引起了许多关注，因为据据报道，居里温度为约45k的铁磁半导体。通过执行第一原理计算，我们发现CRI3的磁场状状态在双轴应变下是可变的。我们的理论研究表明，单层CRI3的地位是压缩下的铁磁性，但在张力下成为反铁磁体。特别地，过渡发生在可行的面内菌株约为1.8％。伴随磁场态的过渡，CRI3经历从磁性金属到半导体的过渡到半导体，以旋转相关的半导体，当菌株不同于相似的15％至10％时。我们将这些转变归因于Cr原子的D-轨道的变化和I原子的p轨道。通常，我们在紧张的CRI3中报告了一系列磁性和电子阶段转变，这将有助于理论和实验研究人员进一步了解CRI3及其类似物的可调电子和磁性。

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