Surface Energy of Diamond Cubic Crystals and Anisotropy Analysis Revealed by Empirical Electron Surface Models

Abstract

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.

Thermal Surface Properties, London Dispersive and Polar Surface Energy of Graphene and Carbon Materials Using Inverse Gas Chromatography at Infinite Dilution

“…A comparison between the results given in Table 1 and those in the literature [ 15 , 21 , 27 , 74 , 75 , 76 , 77 ] showed large differences in the values of the London dispersive surface energy. Dai et al [ 21 ] in 2014 obtained for GO and rGO values of : 28.5 mJ/m 2 and 98.3 mJ/m 2 at 313.15 K, respectively.…”

Thermal Surface Properties, London Dispersive and Polar Sur-face Energy of Graphene and Carbon Materials by Inverse Gas Chromatography at Infinite Dilution

“…Table 1 showed the difference between the various materials in the values of the London dispersive surface entropy 𝜀 , the extrapolated London dispersive surface energy at 0K 𝛾 𝑇 0K , and the temperature maximum 𝑇 . The comparison between the results given in Table 1 and those of literature [15,21,27,[77][78][79][80] showed large differences in the values of the London dispersive surface energy. Dai et al [21] in 2014 obtained for GO and rGO the respective values of 𝛾 : 28.5 mJ/m 2 and 98.3 mJ/m 2 at 313.15K.…”

Selective deposition of silver particles on {111} or {100} diamond facets

“…The surface energies of the diamond structure were calculated by using the modified embedded-atom method 42 and the empirical electron surface models. 43 The results showed that the lowest surface energy corresponds to the (111) surface. The calculated surface energy showed strong anisotropy.…”