论文标题
伯纳尔堆积的六角硼硝酸盐中的磁多层边缘
Magnetic Multilayer Edges in Bernal-Stacked Hexagonal Boron Nitride
论文作者
论文摘要
众所周知，单层$ \ it {h} $ - bn具有独特的磁性边缘，但是，在常见的多层$ \ text {aa}^{aa}^{\ prime} $ - $ \ ut {h} $ - bn中，会产生层间键并消除不受仪式的Edderons。最近，已经报道了一种强大的方法，它可以报道过非常规Bernal堆叠的$ \ it {h} $ -bn（ab-$ \ it {h} $ - bn）。在这里，我们使用理论方法来研究Ab-$ \ it {H} $ -Bn中氮终止的曲折边缘，可以使用高能量电子束以受控的方式形成。我们发现，这些“开放”边缘在双层和多层AB-$ \ it {h} $ - bn中保持完整，使研究人员有可能通过实验研究这些边缘状态。我们还通过构建基于从一组第一原理计算中提取的参数来研究边缘旋转构型的热力学。我们发现，相邻层中的边缘旋转非常弱相互作用，从而导致多层样品中的一系列独立的自旋链。通过使用Monte Carlo模拟求解此模型，我们可以在Liquid-N $ _ {2} $温度下确定NM级相关长度，较低。在低温下，这些边缘可用于磁敏感和旋转型应用。
Single-layer $\it{h}$-BN is known to have edges with unique magnetism, however, in the commonly fabricated multilayer $\text{AA}^{\prime}$-$\it{h}$-BN, edge relaxations occur that create interlayer bonds and eliminate the unpaired electrons at the edge. Recently, a robust method of growing the unconventional Bernal-stacked $\it{h}$-BN (AB-$\it{h}$-BN) has been reported. Here, we use theoretical approaches to investigate the nitrogen-terminated zigzag edges in AB-$\it{h}$-BN that can be formed in a controlled fashion using a high-energy electron beam. We find that these "open" edges remain intact in bilayer and multilayer AB-$\it{h}$-BN, enabling researchers potentially to investigate these edge states experimentally. We also investigate the thermodynamics of the spin configurations at the edge by constructing a lattice model that is based on parameters extracted from a set of first-principles calculations. We find that the edge spins in neighboring layers interact very weakly, resulting in a sequence of independent spin chains in multilayer samples. By solving this model using Monte Carlo simulations, we can determine nm-scale correlation lengths at liquid-N$_{2}$ temperatures and lower. At low temperatures, these edges may be utilized in magnetoresistance and spintronics applications.
