Two-dimensional hexagonal Zn3Si2 monolayer:Dirac cone material and Dirac half-metallic manipulation  

作　　者：Yurou Guan Lingling Song Hui Zhao Renjun Du Liming Liu Cuixia Yan Jinming Cai 官雨柔;宋玲玲;赵慧;杜仁君;刘力铭;闫翠霞;蔡金明(Faculty of Materials Science and Engineering,Kunming University of Science and Technology,Kunming 650093,China)

机构地区：[1]Faculty of Materials Science and Engineering,Kunming University of Science and Technology,Kunming 650093,China

出　　处：《Chinese Physics B》2020年第8期418-423,共6页中国物理B（英文版）

基　　金：the National Natural Science Foundation of China(Grant Nos.11674136 and 11564022);Yunnan Province for Recruiting High-Caliber Technological Talents,China(Grant No.1097816002);Reserve Talents for Yunnan Young and Middle-aged Academic and Technical Leaders,China(Grant No.2017HB010);the Academic Qinglan Project of KUST(Grant No.1407840010);the Analysis and Testing Fund of KUST(Grant No.2017M20162230010);the High-level Talents of KUST(Grant No.1411909425)。

摘　　要：The fascinating Dirac cone in honeycomb graphene,which underlies many unique electronic properties,has inspired the vast endeavors on pursuing new two-dimensional(2D)Dirac materials.Based on the density functional theory method,a 2D material Zn3Si2 of honeycomb transition-metal silicide with intrinsic Dirac cones has been predicted.The Zn3Si2 monolayer is dynamically and thermodynamically stable under ambient conditions.Importantly,the Zn3Si2 monolayer is a room-temperature 2D Dirac material with a spin-orbit coupling energy gap of 1.2 meV,which has an intrinsic Dirac cone arising from the special hexagonal lattice structure.Hole doping leads to the spin polarization of the electron,which results in a Dirac half-metal feature with single-spin Dirac fermion.This novel stable 2D transition-metal-silicon-framework material holds promises for electronic device applications in spintronics.

关 键 词：two-dimensional(2D)Dirac cone material Dirac half-metal first-principles calculation spin-orbit coupling 

分 类 号：O614.241[理学—无机化学]