Generalized Electron Counting in Determination of Metal-Induced Reconstruction of Compound Semiconductor Surfaces

ORAL

Abstract

Based on theoretical analysis, first-principles calculations, and experimental observations, we establish a generic guiding principle, embodied in generalized electron counting (GEC), that governs the surface reconstruction of compound semiconductors induced by different metal adsorbates. Within the GEC model, the adsorbates serve as an electron bath, donating or accepting the right number of electrons as the host surface chooses a specific reconstruction that obeys the classic electron counting model. The predictive power of the GEC model is illustrated for a wide range of elements from alkali to transition metals, and to noble metals.

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Authors

  • Lixin Zhang

    National Renewable Energy Laboratory, Golden, CO 80401

  • Enge Wang

    International Center for Quantum Structures and Institute of Physics, Chinese Academy of Sciences, Institute of Physics, Chinese Academy of Sciences, Beijing 100080, China

  • Q.K. Xue

    Institute of Physics, Chinese Academy of Sciences, Beijing 100080, China, Department of Physics, Tsinghua University, Beijing 100084, China; Institute of Physics, Chinese Academy of Sciences,Beijing 100080, China, IoP, Chinese Academy of Science

  • Shengbai Zhang

    National Renewable Energy Laboratory, National Renewable Energy Lab., National Renewable Energy Laboratory, Golden, CO 80401, National Renewable Energy Lab

  • Zhenyu Zhang

    Oak Ridge National Laboratory \& University of Tennessee, Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge National Laboratory, The University of Tennessee, Oak Ridge National Laboratory, Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, ORNL