Capturing 3D atomic defects and phonon localization at the 2D heterostructure interface.

ABSTRACT: The three-dimensional (3D) local atomic structures and crystal defects at the interfaces of heterostructures control their electronic, magnetic, optical, catalytic, and topological quantum properties but have thus far eluded any direct experimental determination. Here, we use atomic electron tomography to determine the 3D local atomic positions at the interface of a MoS₂-WSe₂ heterojunction with picometer precision and correlate 3D atomic defects with localized vibrational properties at the epitaxial interface. We observe point defects, bond distortion, and atomic-scale ripples and measure the full 3D strain tensor at the heterointerface. By using the experimental 3D atomic coordinates as direct input to first-principles calculations, we reveal new phonon modes locali

SUBMITTER: Tian X 

PROVIDER: S-EPMC8443181 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature