How to realize the spin-Seebeck effect with a high spin figure of merit in magnetic boron–nitrogen nanoribbon and nanotube structures?

Abstract

The spin-Seebeck effect (SSE) has been regarded as one of the core topics in spin caloritronics. To realize the SSE together with high spin thermoelectric conversion efficiency (TCE), two nanoscale structures referred to as nanoribbons and nanotubes have long been regarded as potential candidates. To illustrate their advantages to the above end, we construct magnetic boron–nitrogen nanoribbons (BNNRs) and nanotubes (BNNTs) by substituting some B atoms with carbon, and the BNNTs can be rolled from the BNNRs. To unify the magnetism origins, the edge magnetisms in BNNRs are cancelled by hydrogen passivation. Our theoretical results show that although these two different structures display similar spin semiconducting states, the BNNRs have lower lattice thermal conductance due to the phonon scattering at edges, contributing to the enhancement of the spin figure of merit; while the BNNTs can generate a better SSE and larger spin thermopower, due to the rotational symmetry. Moreover, we remove the hydrogen passivation from the BNNRs to construct another typical class of magnetic BNNRs, the electronic state which is changed to a magnetic metallic one, which suppresses the spin thermopower and the SSE largely. Systematic and comparative studies help us to choose feasible routes to improve and design the SSE with a high spin figure of merit in nanoscale structures, and give us deep understanding into the device applications of spin caloritronics based on nanoribbon and nanotube materials.