Two-dimensional heterotriangulene-based manganese organic frameworks: bipolar magnetic and half semiconductors with perpendicular magnetocrystalline anisotropy,Nanoscale

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Two-dimensional heterotriangulene-based manganese organic frameworks: bipolar magnetic and half semiconductors with perpendicular magnetocrystalline anisotropy
Nanoscale ( IF 5.8 ) Pub Date : 2022-06-01 , DOI: 10.1039/d2nr00398h
Yue Wang ₁ , Jiawei Jiang ₁ , Wenbo Mi ₁

Affiliation

Two-dimensional (2D) organic intrinsic magnetic semiconductors have potential applications in low-dimensional organic spintronic devices due to their remarkable physical properties. However, 2D metal–organic frameworks with magnetic and semiconducting properties are rare. In this work, the electronic and magnetic properties of 2D heterotriangulene-based manganese organic frameworks including triphenylamine (TPA) and triphenylborane (TPB) organic ligands with methylene (M), carbonyl (C) or oxygen (O) coordination groups were studied by first-principles calculations. XTPA-Mn (X = M and O) is a bipolar magnetic semiconductor with a large spin–flip band gap. CTPA-Mn and XTPB-Mn (X = M, C and O) are half semiconductors with perpendicular magnetocrystalline anisotropy. The electronic properties of materials ranging from half semiconductors to bipolar magnetic semiconductors appear in CTPA-Mn and XTPB-Mn (X = M and C) at biaxial strains. XTPA-Mn and XTPB-Mn with a frustrated antiferromagnetic configuration are semiconductors with good ductility and stability. These results enrich the diversity of 2D organic intrinsic magnetic semiconductors, which have potential applications in spintronic devices.

中文翻译：

二维异三角烯基锰有机骨架：具有垂直磁晶各向异性的双极磁性和半半导体

二维（2D）有机本征磁性半导体由于其卓越的物理特性，在低维有机自旋电子器件中具有潜在应用。然而，具有磁性和半导体特性的二维金属有机框架很少见。在这项工作中，二维异三角烯基锰有机骨架包括三苯胺 (TPA) 和三苯硼烷 (TPB) 有机配体与亚甲基 (M)、羰基 (C) 或氧 (O) 配位基团的电子和磁性。 - 原则计算。XTPA-Mn（X = M 和 O）是一种具有大自旋翻转带隙的双极磁性半导体。CTPA-Mn 和 XTPB-Mn（X = M、C 和 O）是具有垂直磁晶各向异性的半半导体。从半半导体到双极磁性半导体的材料的电子特性出现在 CTPA-Mn 和 XTPB-Mn（X = M 和 C）的双轴应变下。具有受挫反铁磁结构的 XTPA-Mn 和 XTPB-Mn 是具有良好延展性和稳定性的半导体。这些结果丰富了二维有机本征磁性半导体的多样性，在自旋电子器件中具有潜在应用。

更新日期：2022-06-01

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