Surface atomic structure characterization of SnSe and black phosphorus using selected area uLEED-IV via LEEM

ORAL

Abstract

Selected area diffraction intensity-voltage ($\mu$LEED-\textit{IV}) analysis via low energy electron microscopy (LEEM) has the combined functionality of atomic surface structure determination and $\mu$m area selectivity, making it ideal for structural investigations of 2-D materials. SnSe thin films have been predicted and observed to be topological crystalline insulators. Previous studies suggested that SnSe has a preferred Se-terminated surface configuration. Using $\mu$LEED-\textit{IV}, we determined that SnSe has, on the contrary, a stable Sn termination. This surface is stabilized through an oscillatory interlayer relaxation, which agrees with previous DFT predictions. Black phosphorus (BP) has an intrinsic layer-dependent bandgap ranging from 0.3 eV to 2 eV. Previous STM and DFT studies suggested BP surfaces have a buckling of 0.02 \AA\ to 0.06 \AA. We experimentally determined that the surface buckling of BP to be near 0.2 \AA. We further propose, using DFT calculations, that this large surface buckling is induced by the presence of surface defects. The influence of this surface buckling on the electronic structures of BP is under investigation.

Authors

  • Zhongwei Dai

    • University of New Hampshire
  • Maxwell Grady

    • University of New Hampshire
  • Jiexiang Yu

    • University of New Hampshire
  • Jiadong Zang

    • University of New Hampshire
  • Karsten Pohl

    • University of New Hampshire
  • Wencan Jin

    • Columbia University
  • Young Duck Kim

    • Columbia University
  • James Hone

    • Columbia University
  • Jerry Dadap

    • Columbia University
  • Richard Osgood

    • Columbia University
  • Jerzy Sadowski

    • Center for Functional Nanomaterials, Brookhaven National Laboratory
  • Suresh Vishwanath

    • Cornell University
  • Huili Xing

    • Cornell University