论文标题
通过晶格变形在单层CRI $ _3 $中诱导磁相变
Inducing Magnetic Phase Transitions in Monolayer CrI$_3$ via Lattice Deformations
论文作者
论文摘要
分层三碘化物（CRI $ _3 $）的原子薄膜最近被视为适合广泛技术相关的应用的合适候选者，这主要是由于他们提供的机会实现了在平面内和超平面抗抗固定抗抗固定抗固定剂之间可逆的过渡。但是，尚未将诱导这种过渡的途径设计为单层限制。在这里，我们通过各向同性海森伯格旋转汉密尔顿人和第一原理计算的组合解决了单层CRI $ _3 $对平面晶格变形的磁反应。根据施加的晶格应变的大小和方向，我们推出了一系列依赖方向的并行旋转旋转的交叉，这产生了铁磁，néel抗铁磁性，锯齿形和条状反铁磁性地面状态的出现。此外，我们确定了磁相图中的一个临界点，在该磁相图中，交换耦合消失并淬灭磁性。我们的工作建立了通过应变工程广泛调整单层CRI $ _3 $中的自旋相互作用的准则，并进一步扩展了可以托管二维晶体的磁有序相。
Atomically thin films of layered chromium triiodide (CrI$_3$) have recently been regarded as suitable candidates to a wide spectrum of technologically relevant applications, mainly owing to the opportunity they offer to achieve a reversible transition between coexisting in-plane ferro- and out-of-plane antiferro-magnetic orders. However, no routes for inducing such a transition have been designed down to the single-layer limit. Here, we address the magnetic response of monolayer CrI$_3$ to in-plane lattice deformations through a combination of isotropic Heisenberg spin Hamiltonians and first-principles calculations. Depending on the magnitude and orientation of the lattice strain exerted, we unveil a series of direction-dependent parallel-to-antiparallel spins crossovers, which yield the emergence of ferromagnetic, Néel antiferromagnetic, zigzag and stripy antiferromagnetic ground states. Additionally, we identify a critical point in the magnetic phase diagram whereby the exchange couplings vanish and the magnetism is quenched. Our work establishes guidelines for extensively tailoring the spin interactions in monolayer CrI$_3$ via strain engineering, and further expands the magnetically ordered phases which can be hosted in a two-dimensional crystal.
