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Tunable band gap and magnetism of the two-dimensional nickel hydroxide

机译:二维氢氧化镍的可调带隙和磁性

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摘要

The electronic structures and magnetic properties of two dimensional (2D) hexagonal Ni(OH)(2) are explored based on first-principles calculations. The results reveal that the ground state of the pristine Ni(OH)(2) is a direct semiconductor with antiferromagnetic (AFM) coupling between two nearest Ni atoms. Interestingly, the monolayer Ni(OH)(2) becomes a ferromagnetic (FM) semiconductor under a biaxial compressive strain of 4%. Furthermore, the band gap of monolayer Ni(OH)(2) can be modulated by the different biaxial strains. These tunable electronic structures and magnetic properties of the Ni(OH)(2) monolayer make it a promising candidate for applications in 2D spin-devices.
机译:基于第一性原理计算,研究了二维(2D)六角形Ni(OH)(2)的电子结构和磁性。结果表明,原始Ni(OH)(2)的基态是在两个最近的Ni原子之间具有反铁磁(AFM)耦合的直接半导体。有趣的是,单层Ni(OH)(2)在4%的双轴压缩应变下变成铁磁(FM)半导体。此外,单层Ni(OH)(2)的带隙可以通过不同的双轴应变进行调节。 Ni(OH)(2)单层的这些可调电子结构和磁性质使其成为2D自旋器件中应用的有希望的候选者。

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