飞秒激光加载下二维氮化硼损伤机理研究.docVIP

飞秒激光加载下二维氮化硼损伤机理研 究 任达华向宝燕谭兴毅胡诚 湖北民族学院信息工程学院湖北民族学院教育学院 二维氮化硼用在纳米电子及光电子领域时，常用飞秒脉冲激光进行加工，因此 研宂飞秒激光与二维六角氮化硼（hnN）相互作用具有很好的应用价值。本文基 于含时密度泛函理论研宄了飞秒激光脉冲与二维haN纳米片相互作用，研究结果 表明:激光脉冲作用在二维hnN纳米片时，N-H键、B-H键键长被拉长，B-N键逐 渐被破坏，最终导致二维KN整个结构坍塌而解体。此外，还发现激光强度影响 N-Il、EH1、B-N键最先断裂时间；同时飞秒激光的极化方向影响电荷密度分布。 关键词： 飞秒激光;二维hBN;含时密度泛函理论; 任达华（1985-）,男，湖北省人，，讲师。 基金：湖北省教育厅科学技术项目（B2017098） Study on the Mechanism of Femtosecond Laser Induced Damage to Two Dimensional Hexagonal Boron Nitride REN Da-hua XIANG Bao-yan TAN Xing-yi HU Cheng College of Information Engineering， Hubei University for Nationalities; School of Education, Hubei University for Nationalities; Abstract： As two dimensional hexagonal boron nitrides ( h,jN) are applied in the fields of nano-electric and nano-optie1ectric, they are microprocessed by femtosecond ( fs) pulsed laser and it is valuable to investigate the interplays of fs laser with h^N. Mechanism of interactions between fs laser and hBN nanosheet based on time dependent density functional theory was studied. It is found that B~H, N-H, BN bond lengths are elongated as laser interacts hltN and B~N bonds are gradually broken. Subsequently, structures of hBN are damaged. Furthermore, it is also shown that the laser strength influences damage time when the bonds are firstly broken. Meanwhile, the distribution of charge densities which depends on laser polarization also catches variation. Keyword： Femtosecond laser; two dimensional hBN; time dependent density functional theory; 1引言 BN是典型的III-V族宽带隙半导体，具有优异的物理、化学稳定性。六角形氮 化硼（h_BN）结构类似于石墨烯，是由硼、氮原子交错呈蜂窝状排列的二维材料, 它是由sp杂化形成共价键。单层或多层六角形氮化硼可从氮化硼晶体上通过微 力剥离法而获得;除此之外，还可通过超声分离、高能电子束辐射、化学气相沉 积等手段获得UL二维六角氮化硼（h_BN）表现出半导体特性，可用于纳米电 子、光电子等领域m。单层二纳米片是带隙为5.97 e V的直接宽带隙 半导体，具有介电常数高、绝缘性好、导热率好、机械强度大等优点，可作为场 效应管屮的介电层和深紫外发光电极U1。实验上，飞秒激光与物质相互作用伴 随很多新奇的物理现象，如库仑爆炸、阈上电离、多光子电离、隧穿电离、等离 子体膨胀等。当激光强度IP〉10W/cm时，分子的儿何构型将会变改变，如线性分 子0）2会弯曲、非线性分子礼0及队0会被拉直￡11。此外，激光波长和脉宽影响 分子碎片程度，如波长为1400 nm的激光对苯及C。。的破坏［5_6］;波长为800 nm 的激光对酒精及水损伤的影响12^1。此外Campbell等用5、fs的激光辐照C6Q 发现:脉宽越小，母体解