Zhang Honghong, Xie Yuee, Zhang Zhongwei, Zhong Chengyong, Li Yafei, Chen Zhongfang, Chen Yuanping
School of Physics and Optoelectronics, Xiangtan University , Xiangtan, Hunan 411105, China.
College of Chemistry and Materials Science, Jiangsu Key Laboratory of Biofunctional Materials, Nanjing Normal University , Nanjing, Jingsu 210023, China.
J Phys Chem Lett. 2017 Apr 20;8(8):1707-1713. doi: 10.1021/acs.jpclett.7b00452. Epub 2017 Apr 3.
The enchanting Dirac fermions in graphene stimulated us to seek other 2D Dirac materials, and boron monolayers may be a good candidate. So far, a number of monolayer boron sheets have been theoretically predicted, and three have been experimentally prepared. However, none of intrinsic sheets possess Dirac electrons near the Fermi level. Herein, by means of density functional theory computations, we identified a new boron monolayer, namely, hr-sB, with two types of Dirac fermions coexisting in the sheet: One type is related to Dirac nodal lines traversing Brillouin zone (BZ) with velocities approaching 10 m/s, and the other is related to tilted semi-Dirac cones with strong anisotropy. This newly predicted boron monolayer consists of hexagon and rhombus stripes. With an exceptional stability comparable to the experimentally achieved boron sheets, it is rather optimistic to grow hr-sB on some suitable substrates such as the Ag (111) surface.
石墨烯中迷人的狄拉克费米子激发我们去寻找其他二维狄拉克材料，硼单层可能是一个很好的候选者。到目前为止，理论上已经预测出许多硼单层，并且已经通过实验制备出三种。然而，没有一种本征硼单层在费米能级附近拥有狄拉克电子。在此，借助密度泛函理论计算，我们确定了一种新的硼单层，即hr-sB，在该单层中有两种类型的狄拉克费米子共存：一种与穿过布里渊区（BZ）的狄拉克节线相关，其速度接近10 m/s，另一种与具有强各向异性的倾斜半狄拉克锥相关。这种新预测的硼单层由六边形和菱形条纹组成。它具有与通过实验获得的硼单层相当的非凡稳定性，因此在诸如Ag(111)表面等一些合适的衬底上生长hr-sB是相当乐观的。
