Abstract
First-principles investigations have been performed to explore the spin based electronic and transport properties of asymmetrically H-terminated zigzag germanene nanoribbons (2HH ZGeNR). Investigations reveal a significant formation energy difference (ΔEF=EF(2H-H)−EF(H-H)∼−0.49eV), highlighting more energetic stability for asymmetric edge termination compared to symmetric edge termination, irrespective of the ribbon width. Further, magnetic moment analysis and total energy calculations were performed to unveil that these structures have a magnetic ground state with preferred ferromagnetic (FM) coupling. The calculated E-k structures project a unique bipolar semiconducting behaviour for 2HH ZGeNR which is contrast to H-terminated ZGeNR. Half-metallic transformation has also been revealed via suitable p-type or n-type doping for these structures. Finally, transport calculations were performed to highlight the selective contributions of spin-down (spin-up) electrons in the I–V characteristics of the doped 2HH ZGeNR, suggesting their vitality for spintronic device applications.
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