Spin transport property of Cr2C based nanoscale devices: A first principle study

Edge states and interfacial design are important influencing factors for spin transport property modulation of nanoscale devices. Electronic structure and spin charge transmission path of both armchair/zigzag Cr2C nanoribbon and single-porphyrin molecular junctions with Cr2C nanoribbon electrodes are studied based on spin polarized density functional theory and non-equilibrium Green's function method. The results show that both zigzag and armchair oriented Cr2C nanoribbons have intrinsic magnetic half-metallic behavior. Volt-ampere characteristics of zigzag Cr2C nanodevices are linear, and that of armchair Cr2C nanodevice shows obvious saturation effect and negative differential resistance effect (NDR). These two cases maintain both strong spin polarization current intensity and 100% spin filtering efficiency (SFE). In addition, the intercalation of porphyrin molecule significantly reduces electron accumulation near the Fermi level in case of armchair Cr2C nanodevice which retains 100% spin polarization behavior. This work expands a potential application of intrinsic magnetic two-dimensional materials in field of molecular spintronic devices.

Automated summary

This study shows that edge states and interfacial design are important influencing factors for spin transport property modulation of nanoscale devices. The electronic structure and spin charge transmission path of both armchair/zigzag Cr2C nanoribbon and single-porphyrin molecular junctions with Cr2C nanoribbon electrodes are investigated. The results reveal that both zigzag and armchair oriented Cr2C nanoribbons exhibit intrinsic magnetic half-metallic behavior. Furthermore, the insertion of porphyrin molecule reduces electron accumulation near the Fermi level in the case of armchair Cr2C nanodevice while maintaining 100% spin polarization behavior. This work highlights the potential application of intrinsic magnetic two-dimensional materials in the field of molecular spintronic devices.