关键词: 飞秒激光;二维h_BN;含时密度泛函理论

Abstract: As two dimensional hexagonal boron nitrides (h_BN) are applied in the fields of nano-electric and nano-optielectric,they are microprocessed by femtosecond (fs) pulsed laser and it is valuable to investigate the interplays of fs laser with h_BN.Mechanism of interactions between fs laser and h_BN nanosheet based on time dependent density functional theory was studied.It is found that B-H,N-H,B-N bond lengths are elongated as laser interacts h_BN and B-N bonds are gradually broken.Subsequently,structures of h_BN 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.

Key words: As two dimensional hexagonal boron nitrides (h_BN) are applied in the fields of nano-electric and nano-optielectric,they are microprocessed by femtosecond (fs) pulsed laser and it is valuable to investigate the interplays of fs laser with h_BN.Mechanism of interactions between fs laser and h_BN nanosheet based on time dependent density functional theory was studied.It is found that B-H,N-H,B-N bond lengths are elongated as laser interacts h_BN and B-N bonds are gradually broken.Subsequently,structures of h_BN 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.