Graphene-like Two-Dimensional Ionic Boron with Double Dirac Cones at Ambient Condition

• DOI: 10.1021/acs.nanolett.5b05292
• Publication Date: 2016-04-06T18:04:13Z
• Authors: Fengxian Ma; Yalong Jiao; Guoping Gao; Yuantong Gu; Ante Bilic; Zhongfang Chen; Aijun Du
• Keywords: graphene analogous; 2D boron; 02 engineering and technology; 0210 nano-technology; 7. Clean energy; density functional theory; Dirac cone; 620; 3. Good health

Recently, partially ionic boron (γ-B28) has been predicted and observed in pure boron, bulk phase controlled by pressure [Nature 2009, 457, 863]. By using ab initio evolutionary structure search, we report the prediction of at a reduced dimension ambient pressure, namely, two-dimensional (2D) boron. This 2D consists graphene-like plane B2 atom pairs with P6/mmm space group six atoms unit cell lower energy than previously reported α-sheet its analogues. Its dynamical thermal stability are confirmed phonon-spectrum molecular dynamics simulation. In addition, this exhibits double Dirac cones massless Fermions due to significant charge transfer between pair that enhances energetic A Fermi velocity (vf) as high 2.3 × 106 m/s, which is even higher graphene (0.82 m/s), for The present work first atmospheric pressure. unique electronic renders promising material applications nanoelectronics.