Surface structure determination of black phosphorus using photoelectron diffraction

FAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOCNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICOCAPES - COORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIORThe atomic structure of single-crystalline black phosphorus is studied using high-resolution synchrotron-based photoelectron diffraction (XPD). The results show that the topmost phosphorene layer in the black phosphorus is slightly displaced compared to the bulk structure and presents a small contraction in the direction perpendicular to the surface. Furthermore, the XPD results show the presence of a small buckling among the surface atoms, in agreement with previously reported scanning tunneling microscopy results. The contraction of the surface layer added to the presence of the buckling indicates a uniformity in the size of the sp(3) bonds between P atoms at the surface.The atomic structure of single-crystalline black phosphorus is studied using high-resolution synchrotron-based photoelectron diffraction (XPD). The results show that the topmost phosphorene layer in the black phosphorus is slightly displaced compared to the bulk structure and presents a small contraction in the direction perpendicular to the surface. Furthermore, the XPD results show the presence of a small buckling among the surface atoms, in agreement with previously reported scanning tunneling microscopy results. The contraction of the surface layer added to the presence of the buckling indicates a uniformity in the size of the sp3 bonds between P atoms at the surface.The atomic structure of single-crystalline black phosphorus is studied using high-resolution synchrotron-based photoelectron diffraction (XPD). The results show that the topmost phosphorene layer in the black phosphorus is slightly displaced compared to the bulk structure and presents a small contraction in the direction perpendicular to the surface. Furthermore, the XPD results show the presence of a small buckling among the surface atoms, in agreement with previously reported scanning tunneling microscopy results. The contraction of the surface layer added to the presence of the buckling indicates a uniformity in the size of the sp3 bonds between P atoms at the surface.93315FAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOCNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICOCAPES - COORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIORFAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOCNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICOCAPES - COORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIORSem informação308717/2012-0; 401826/2013-9; 455807/2014-0Sem informaçãoThis work received financial support from FAPESP, CNPq (Project No. 455807/2014-0, 401826/2013-9, 308717/2012-0), and CAPES from Brazil. XPD measurements were done at LNLS under Proposal No. PGM-19062. L.H.L. and L.B. thank CNPq for postdoctoral fellowship support. The authors thanks the LNLS staff, especially J.C. Cezar, for technical support during beam time