Department of Physics and Institute of Applied Condensed Matter Physics, School of Science, Wuhan University of Technology, Wuhan, Hubei 430070, People's Republic of China.
Nanotechnology. 2019 Dec 6;30(49):495201. doi: 10.1088/1361-6528/ab4087. Epub 2019 Sep 2.
By means of density functional theory calculations, we successfully predict two stable 2D triangular borophenes, namely BH and BO. Our results indicate that BH is a Dirac material and its cone point is located at the K point of the Brillouin zone (BZ). BO is identified as having a node-line ring and Dirac cones together. Its node-line ring formed by the intersection of the extended energy band from the two Dirac cones located on K point. This modified 2D borophene has great thermal and dynamic stability due to the electron transfer from the triangular boron lattice to the O atoms. The electronic structure of BO nanofilm demonstrates novel properties such as two Dirac cones, more than 1.3 eV linear dispersion bands at some points of the BZ, as well as excellent transport properties for the extremely high mobility brought by the combination of the node-line semimetal and Dirac cones. Our study may motivate potential applications of 2D materials in nanoelectronics.
通过密度泛函理论计算，我们成功预测了两种稳定的二维三角硼烯，即 BH 和 BO。我们的结果表明，BH 是一种狄拉克材料，其锥点位于布里渊区（BZ）的 K 点。BO 被确定为同时具有节点线环和狄拉克锥。它的节点线环是由位于 K 点的两个狄拉克锥的扩展能带的交点形成的。由于电子从三角硼晶格转移到 O 原子，这种改良的二维硼烯具有很大的热和动力学稳定性。BO 纳米薄膜的电子结构表现出一些新的特性，如两个狄拉克锥、在 BZ 的某些点上超过 1.3eV 的线性色散带，以及由于节点线半导体和狄拉克锥的结合带来的极高迁移率的优异输运性质。我们的研究可能会激发二维材料在纳米电子学中的潜在应用。
