Abstract
This work presents an investigation of nanoribbons cut from β12-borophene sheets by applying the density functional theory. In particular, the electronic and magnetic properties of borophene nanoribbons (BNR) are studied. It is found that all the ribbons considered in this work behave as metals, which is in good agreement with the recent experimental results. β12-BNR has significant diversity due to the existence of five boron atoms in a unit cell of the sheet. The magnetic properties of the ribbons are strongly dependent on the cutting direction and edge profile. It is interesting that a ribbon with a specific width can behave as a normal or a ferromagnetic metal with magnetization at just one edge or two edges. Spin anisotropy is observed in some ribbons, and the magnetic moment is not found to be the same in both edges in an antiferromagnetic configuration. This effect stems from the edge asymmetry of the ribbons and results in the breaking of spin degeneracy in the band structure. Our findings show that β12 BNRs are potential candidates for next-generation spintronic devices.
Highlights
Borophene, a single layer of boron atoms, has been recently synthesized in an ultra-high vacuum condition by two independent groups [1, 2]
The results show that all the borophene nanoribbons (BNR) considered in our work are metals, and the edge magnetization is dependent on the cutting direction
The BNRs provided by the cutting of the sheet along the x-direction are denoted by NuvXBNR, where N is the number of boron atoms in a row of the ribbon unit cell, and u(v) stands for the edge shape of a ribbon unit cell, which can be composed of two boron atoms or three boron atoms
Summary
A single layer of boron atoms, has been recently synthesized in an ultra-high vacuum condition by two independent groups [1, 2]. The analysis showed that the b12 borophene is a metal [5], and the structure can host the Dirac cone [6, 7] After these two successful experimental syntheses of borophene sheets, a lot of theoretical research has been devoted to the study of borophene properties in recent years [8,9,10,11,12,13,14,15,16,17,18]. Meng et al [40] investigated 2Pmmn BNRs and reported that the ribbons produced by cutting the sheet along x-direction are metal, whereas the ribbons produced from cutting in y-direction can be magnetic They found that upon hydrogenation all nanoribbons become nonmagnetic. We analyze the binding energy, electron density, transmission channel, electron localized function, band structure, and magnetization of the considered ribbons in detail
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