Novel Boron Nitride Polymorphs with Graphite-Diamond Hybrid Structure  

作　　者：Kun Luo Baozhong Li Lei Sun Yingju Wu Yanfeng Ge Bing Liu Julong He Bo Xu Zhisheng Zhao Yongjun Tian 罗坤;李宝忠;孙磊;武英举;盖彦峰;刘兵;何巨龙;徐波;赵智胜;田永君(Center for High Pressure Science(CHiPS),State Key Laboratory of Metastable Materials Science and Technology,Yanshan University,Qinhuangdao 066004,China;Key Laboratory for Microstructural Material Physics of Hebei Province,School of Science,Yanshan University,Qinhuangdao 066004,China)

机构地区：[1]Center for High Pressure Science(CHiPS),State Key Laboratory of Metastable Materials Science and Technology,Yanshan University,Qinhuangdao 066004,China [2]Key Laboratory for Microstructural Material Physics of Hebei Province,School of Science,Yanshan University,Qinhuangdao 066004,China

出　　处：《Chinese Physics Letters》2022年第3期36-43,共8页中国物理快报（英文版）

基　　金：supported by the National Natural Science Foundation of China(Grant Nos.52090020,91963203,U20A20238,51772260,52073245,and 51722209);the National Key R&D Program of China(Grant Nos.2018YFA0703400 and 2018YFA0305900);the Natural Science Foundation for Distinguished Young Scholars of Hebei Province of China(Grant No.E2018203349);the Talent Research Project in Hebei Province(Grant No.2020HBQZYC003)。

摘　　要：Both boron nitride(BN)and carbon(C)have sp,sp^(2)and sp^(3)hybridization modes,thus resulting in a variety of BN and C polymorphs with similar structures,such as hexagonal BN(hBN)and graphite,cubic BN(cBN)and diamond.Here,five types of BN polymorph structures are proposed theoretically,inspired by the graphite-diamond hybrid structures discovered in a recent experiment.These BN polymorphs with graphite-diamond hybrid structures possess excellent mechanical properties with combined high hardness and high ductility,and also exhibit various electronic properties such as semi-conductivity,semi-metallicity,and even one-and two-dimensional conductivity,differing from known insulators hBN and cBN.The simulated diffraction patterns of these BN hybrid structures could account for the unsolved diffraction patterns of intermediate products composed of so-called“compressed hBN”and diamond-like BN,caused by phase transitions in previous experiments.Thus,this work provides a theoretical basis for the presence of these types of hybrid materials during phase transitions between graphite-like and diamond-like BN polymorphs.

关 键 词：DUCTILITY CONDUCTIVITY DIAMOND 

分 类 号：TQ128[化学工程—无机化工]