• 文献标题:   2D Graphene-Like Pb-Free Perovskite Semiconductor CsSb(Br1-xIx)(4) with Quasi-linear Electronic Dispersion and Direct Bandgap Close to Germanium
  • 文献类型:   Article
  • 作  者:   GUO WH, ZHONG HX, ZHANG M, DU J, LIU SM, HE Y, ZHU YH, WANG XQ, SHI JJ
  • 作者关键词:   dionjacobson phase perovskite, sbbased perovskite, quasilinear band edge dispersion, strong optical absorption, firstprinciples calculation, spinorbit coupling effect
  • 出版物名称:   ACS APPLIED MATERIALS INTERFACES
  • ISSN:   1944-8244 EI 1944-8252
  • 通讯作者地址:  
  • 被引频次:   2
  • DOI:   10.1021/acsami.2c00801
  • 出版年:   2022

▎ 摘  要

Thanks to its ultrahigh carrier mobility (similar to 10(4)-10(5) cm(2) V-1 s(-1)), graphene shows tremendous application potential in nanoelectronics, but it cannot be applied in effective field-effect transistors (FETs) because of its intrinsic gapless band structure. Thus, introducing a bandgap for graphene is a prerequisite to realize an FET for logic applications. Herein, through first-principles GW calculations, we have predicted a series of novel Dion-Jacobson (DJ) phase halide perovskite semiconductors CsSb(Br1-xIx)(4) (x = 0, 0.5, 1) with the quasi-linear (graphene-like) band edge dispersion; as the best one of which, CsSbBr2I2 exhibits a direct bandgap (0.52 eV) as well as a quasi-linear electronic dispersion, yielding an ultrasmall carrier effective mass (0.03 m(0)) and a high estimated carrier mobility (5 x 10(3) cm(2) V-1 s(-1)). This gives a significant reference to the exploration of semiconductors with excellent transport properties. Moreover, our calculations also implicate that the DJ perovskites CsSb(Br1-xIx)(4) (x = 0, 0.25, 0.5, 0.75, 1) show soft and anisotropic mechanical characteristics as well as excellent electronic, transport, and optical properties, which demonstrate their multifunctional application in infrared optoelectronic, high-speed electronics, and photovoltaics.