Surface Energy of Diamond Cubic Crystals and Anisotropy Analysis Revealed by Empirical Electron Surface Models
Advances in Materials
Volume 8, Issue 2, June 2019, Pages: 61-69
Received: Apr. 2, 2019; Accepted: May 9, 2019; Published: Jun. 10, 2019
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Baoqin Fu, Key Laboratory for Radiation Physics and Technology, Institute of Nuclear Science and Technology, Sichuan University, Chengdu, China
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A detailed knowledge of structure and energy of surface contributes to the understanding of many surface phenomena. In this work, the surface energies of 48 surfaces for diamond cubic crystals, including diamond (C), silicon (Si), germanium (Ge), and tin (Sn), have been studied by using the empirical electron surface models (EESM), extended from empirical electron theory (EET). Under the first-order approximation, the calculated results are in agreement with experimental and other theoretical values. It is also found that the surface energies show a strong anisotropy. The surface energy of close-packed plane (111) is the lowest one among all index surfaces. For the low-index planes, the order of the surface energies is γ(111) < γ(110) < γ(001). And surface energy variation of the (hk0) and (hhl) planes with the change of the included angle has also been analyzed. EESM provides a good basis for the surface research, and it also can be extended to more material systems. Such extensive results from the same theoretical model should be useful to understand various surface processes for theorists and experimentalists.
Surface Energy, Empirical Electron Theory, Dangling Bond, Valence Electron Structure, Diamond Cubic Crystals
To cite this article
Baoqin Fu, Surface Energy of Diamond Cubic Crystals and Anisotropy Analysis Revealed by Empirical Electron Surface Models, Advances in Materials. Vol. 8, No. 2, 2019, pp. 61-69. doi: 10.11648/
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